1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene-
Basic information
- CAS
106631-38-3- Standard SMILES
C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)CCCC12C- InChIKey
CECREIRZLPLYDM-UHFFFAOYSA-N- Molecular formula
- C20H34O
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.2609657
Overview
1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene- has been reported in Picea abies, Cupressus sempervirens, and other organisms with data available.
Names & identifiers
- Preferred name
- 1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene-
- IUPAC
- 5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-1-en-3-ol
- English name
- 1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8A-tetramethyl-2-methylene-
- Molecular formula
- C20H34O
- Molecular weight
- 290.48
Names & synonyms
106631-38-31-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-1-en-3-olDTXSID908595041-Naphthalenepropanol, .alpha.-ethenyldecahydro-.alpha.,5,5,8a-tetramethyl-2-methylene-RefChem:434805DTXCID10209128600-758-8NSC43329Labda-8(20),14-dien-13-ol, (13R)-NSC165961(13S)-labda-8(17),14-dien-13-ol
Show more names
8(17)14-Labdadien-13-ol - Picea sitchensis (sitka spruce)1-Naphthalenepropanol, α-ethenyldecahydro-α,5,5,8a-tetramethyl-2-methylene-
(+)-13-epi-ManoolSCHEMBL169848145-(5,5,8a-Trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methyl-1-penten-3-ol #8(17)14-Labdadien-13-ol -BAA43862Labda-8(20), (13R)-NSC-43329XL170623
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 368.2 · 368.2±11.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.29(Predicted)
- EPA Substance Registry System
- 1 · 1-Naphthalenepropanol, .alpha.-ethenyldecahydro-.alpha.,5,5,8a-tetramethyl-2-methylene- (106631-38-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenepropanol, .alpha.-ethenyldecahydro-.alpha.,5,5,8a-tetramethyl-2-methylene-: ACTIVE
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Related reactions
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Compound notes
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