4-(3-Hydroxy-3-methylpent-4-en-1-yl)-4a,8,8-trimethyl-3-methylidenedecahydronaphthalen-2-ol
Basic information
- CAS
69782-87-2- Standard SMILES
C=CC(C)(O)CCC1C(=C)C(O)CC2C(C)(C)CCCC12C- InChIKey
ANTWOQSCTZFYJO-UHFFFAOYSA-N- Molecular formula
- C20H34O2
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.25588032
Names & identifiers
- Preferred name
- 4-(3-Hydroxy-3-methylpent-4-en-1-yl)-4a,8,8-trimethyl-3-methylidenedecahydronaphthalen-2-ol
- IUPAC
- 4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
- English name
- 1-(3-Hydroxy-3-methyl-4-pentenyl)-5,5,8a-trimethyl-2-methylenedecalin-3-ol
- Molecular formula
- C20H34O2
- Molecular weight
- 306.48
Names & synonyms
69782-87-2DTXSID903060484-(3-hydroxy-3-methylpent-4-en-1-yl)-4a,8,8-trimethyl-3-methylidenedecahydronaphthalen-2-olRefChem:287642DTXCID40257177NSC1739081-Naphthalenepropanol, .alpha.-ethenyldecahydro-3-hydroxy-.alpha.,5,5,8a-tetramethyl-2-methylene-CHEMBL1967786ANTWOQSCTZFYJO-UHFFFAOYSA-NNSC-173908NCI60_001410DS-003130
Show more names
1-(3-Hydroxy-3-methyl-4-pentenyl)-5,5,8a-trimethyl-2-methylenedecalin-3-ol1-Naphthalenepropanol, α-ethenyldecahydro-3-hydroxy-α,5,5,8a-tetramethyl-2-methylene-
1-Naphthalenepropanol,5,5,8a-tetramethyl-2-methylene-1-Naphthalenepropanol, a-ethenyldecahydro-3-hydroxy-a,5,5,8a-tetramethyl-2-methylene-4-(3-Hydroxy-3-methyl-4-pentenyl)-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenol4-(3-Hydroxy-3-methyl-4-pentenyl)-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenol #4-(3-hydroxy-3-methyl-pent-4-enyl)-4a,8,8-trimethyl-3-methylene-decalin-2-ol
Database identifiers
- CAS
69782-87-2- PubChem CID
- 299929
- DTXSID
DTXSID90306048- ChEMBL
CHEMBL1967786- Nikkaji
- J104.170C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 406.9 · 406.9±20.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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