1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol

C20H32O2 — CID 162979364

IUPAC1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
SMILESCC1=CC=C(C(C)C)C(O)CC(C)=CCCC2(C)OC2CC1
InChIInChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3
InChIKeyPCMPUZKTDZWKHY-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol

1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol (PubChem CID 162979364) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol.

Molecular Properties

Compound Name1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
PubChem CID162979364
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
SMILESCC1=CC=C(C(C)C)C(O)CC(C)=CCCC2(C)OC2CC1
InChIInChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3
InChIKeyPCMPUZKTDZWKHY-UHFFFAOYSA-N
XLogP4.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.94
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 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
The IUPAC name of 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol (CID 162979364) is 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol.
What is the SMILES notation for 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
The canonical SMILES for 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol is CC1=CC=C(C(C)C)C(O)CC(C)=CCCC2(C)OC2CC1.
What is the InChIKey of 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
The InChIKey is PCMPUZKTDZWKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3.
What are the key properties of 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol has a molecular weight of 304.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol is sourced from PubChem (CID 162979364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).