(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol

C20H32O3 — CID 15922617

IUPAC(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
SMILESC/C(CO)=C1\CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H]1O
InChIInChI=1S/C20H32O3/c1-14-6-5-11-20(4)19(23-20)10-8-15(2)12-18(22)17(9-7-14)16(3)13-21/h6,12,18-19,21-22H,5,7-11,13H2,1-4H3/b14-6+,15-12+,17-16-/t18-,19-,20-/m0/s1
InChIKeyOCOAWCHMDBWDLR-RICYMHJGSA-N
MW320.47 g/mol
LogP4.06
Rot. Bonds1

About (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol

(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol (PubChem CID 15922617) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol.

Molecular Properties

Compound Name(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
PubChem CID15922617
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
SMILESC/C(CO)=C1\CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H]1O
InChIInChI=1S/C20H32O3/c1-14-6-5-11-20(4)19(23-20)10-8-15(2)12-18(22)17(9-7-14)16(3)13-21/h6,12,18-19,21-22H,5,7-11,13H2,1-4H3/b14-6+,15-12+,17-16-/t18-,19-,20-/m0/s1
InChIKeyOCOAWCHMDBWDLR-RICYMHJGSA-N
XLogP4.06
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
The IUPAC name of (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol (CID 15922617) is (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol.
What is the SMILES notation for (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
The canonical SMILES for (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol is C/C(CO)=C1\CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H]1O.
What is the InChIKey of (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
The InChIKey is OCOAWCHMDBWDLR-RICYMHJGSA-N. The full InChI is InChI=1S/C20H32O3/c1-14-6-5-11-20(4)19(23-20)10-8-15(2)12-18(22)17(9-7-14)16(3)13-21/h6,12,18-19,21-22H,5,7-11,13H2,1-4H3/b14-6+,15-12+,17-16-/t18-,19-,20-/m0/s1.
What are the key properties of (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol has a molecular weight of 320.47 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol is sourced from PubChem (CID 15922617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).