2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol

C20H34O2 — CID 71438233

IUPAC2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
SMILESCC1=CCCC2(C)OC2CCC(C)=CCC(C(C)(C)O)CC1
InChIInChI=1S/C20H34O2/c1-15-7-6-14-20(5)18(22-20)13-10-16(2)9-12-17(11-8-15)19(3,4)21/h7,9,17-18,21H,6,8,10-14H2,1-5H3
InChIKeyWTKDTHRYBCCEDE-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.17
Rot. Bonds1

About 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol

2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol (PubChem CID 71438233) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
PubChem CID71438233
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
SMILESCC1=CCCC2(C)OC2CCC(C)=CCC(C(C)(C)O)CC1
InChIInChI=1S/C20H34O2/c1-15-7-6-14-20(5)18(22-20)13-10-16(2)9-12-17(11-8-15)19(3,4)21/h7,9,17-18,21H,6,8,10-14H2,1-5H3
InChIKeyWTKDTHRYBCCEDE-UHFFFAOYSA-N
XLogP5.17
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol?
The IUPAC name of 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol (CID 71438233) is 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol.
What is the SMILES notation for 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol?
The canonical SMILES for 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol is CC1=CCCC2(C)OC2CCC(C)=CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol?
The InChIKey is WTKDTHRYBCCEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-15-7-6-14-20(5)18(22-20)13-10-16(2)9-12-17(11-8-15)19(3,4)21/h7,9,17-18,21H,6,8,10-14H2,1-5H3.
What are the key properties of 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol?
2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol has a molecular weight of 306.49 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol is sourced from PubChem (CID 71438233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).