6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one

C20H30O2 — CID 74051510

IUPAC6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one
SMILESC=C(C)C1CC2OC2(C)CCC=C(C)CCC=C(C)CC1=O
InChIInChI=1S/C20H30O2/c1-14(2)17-13-19-20(5,22-19)11-7-10-15(3)8-6-9-16(4)12-18(17)21/h9-10,17,19H,1,6-8,11-13H2,2-5H3
InChIKeyVRMOMSAMFMVIOD-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.15
Rot. Bonds1

About 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one

6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one (PubChem CID 74051510) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one.

Molecular Properties

Compound Name6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one
PubChem CID74051510
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one
SMILESC=C(C)C1CC2OC2(C)CCC=C(C)CCC=C(C)CC1=O
InChIInChI=1S/C20H30O2/c1-14(2)17-13-19-20(5,22-19)11-7-10-15(3)8-6-9-16(4)12-18(17)21/h9-10,17,19H,1,6-8,11-13H2,2-5H3
InChIKeyVRMOMSAMFMVIOD-UHFFFAOYSA-N
XLogP5.15
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
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 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one?
The IUPAC name of 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one (CID 74051510) is 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one.
What is the SMILES notation for 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one?
The canonical SMILES for 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one is C=C(C)C1CC2OC2(C)CCC=C(C)CCC=C(C)CC1=O.
What is the InChIKey of 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one?
The InChIKey is VRMOMSAMFMVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-14(2)17-13-19-20(5,22-19)11-7-10-15(3)8-6-9-16(4)12-18(17)21/h9-10,17,19H,1,6-8,11-13H2,2-5H3.
What are the key properties of 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one?
6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one has a molecular weight of 302.46 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-4-one is sourced from PubChem (CID 74051510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).