2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol

C20H32O2 — CID 155561014

IUPAC2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol
SMILESC=C(CO)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2C1
InChIInChI=1S/C20H32O2/c1-15-7-5-8-16(2)10-11-18(17(3)14-21)13-19-20(4,22-19)12-6-9-15/h8-9,18-19,21H,3,5-7,10-14H2,1-2,4H3/b15-9+,16-8+/t18-,19+,20+/m1/s1
InChIKeyCVASFYMATCVGGR-ZMKBJCDOSA-N
MW304.47 g/mol
LogP4.95
Rot. Bonds2

About 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol

2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol (PubChem CID 155561014) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol
PubChem CID155561014
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol
SMILESC=C(CO)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2C1
InChIInChI=1S/C20H32O2/c1-15-7-5-8-16(2)10-11-18(17(3)14-21)13-19-20(4,22-19)12-6-9-15/h8-9,18-19,21H,3,5-7,10-14H2,1-2,4H3/b15-9+,16-8+/t18-,19+,20+/m1/s1
InChIKeyCVASFYMATCVGGR-ZMKBJCDOSA-N
XLogP4.95
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol?
The IUPAC name of 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol (CID 155561014) is 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol?
The canonical SMILES for 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol is C=C(CO)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2C1.
What is the InChIKey of 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol?
The InChIKey is CVASFYMATCVGGR-ZMKBJCDOSA-N. The full InChI is InChI=1S/C20H32O2/c1-15-7-5-8-16(2)10-11-18(17(3)14-21)13-19-20(4,22-19)12-6-9-15/h8-9,18-19,21H,3,5-7,10-14H2,1-2,4H3/b15-9+,16-8+/t18-,19+,20+/m1/s1.
What are the key properties of 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol?
2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol has a molecular weight of 304.47 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 155561014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).