CID 196669
Basic information
- CAS
112661-59-3- Standard SMILES
C=C1CCC2OC2(CO)CC2OC23[C@H](C(C)(C)O)CC[C@@]3(C)CC1- InChIKey
AIGZUIVVXKXMDB-WZLKLWACSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Names & identifiers
- Preferred name
- CID 196669
- IUPAC
- 2-[(13S,16S)-5-(hydroxymethyl)-13-methyl-10-methylidene-2,6-dioxatetracyclo[11.3.0.01,3.05,7]hexadecan-16-yl]propan-2-ol
- English name
- stolonidiol
- Molecular formula
- C20H32O4
- Molecular weight
- 336.47
Names & synonyms
NSC621604NSC-621604stolonidiol11aH-Cyclopenta[1,11]cycloundeca[1,2-b:4,5-b']bisoxirene-9,11a-dimethanol, dodecahydro-α9,α9,6a-trimethyl-4-methylene-, (1aS,6aS,9S,9aR,10aR,11aS)-
Database identifiers
- CAS
112661-59-3- PubChem CID
- 196669
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 468.6 · 468.6±35.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 15.03 · 15.03±0.10(Predicted)
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Compound notes
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