(6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one

C20H30O2 — CID 6443381

IUPAC(6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one
SMILESC=C(C)C1C/C=C(\C)CC/C=C(/C)CCC2OC2(C)CC1=O
InChIInChI=1S/C20H30O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)13-18(17)21/h8-9,17,19H,1,6-7,10-13H2,2-5H3/b15-9+,16-8-
InChIKeyJLJMRDTYYDTGQL-MVTUEYSXSA-N
MW302.46 g/mol
LogP5.15
Rot. Bonds1

About (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one

(6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one (PubChem CID 6443381) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one.

Molecular Properties

Compound Name(6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one
PubChem CID6443381
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one
SMILESC=C(C)C1C/C=C(\C)CC/C=C(/C)CCC2OC2(C)CC1=O
InChIInChI=1S/C20H30O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)13-18(17)21/h8-9,17,19H,1,6-7,10-13H2,2-5H3/b15-9+,16-8-
InChIKeyJLJMRDTYYDTGQL-MVTUEYSXSA-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 (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one?
The IUPAC name of (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one (CID 6443381) is (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one.
What is the SMILES notation for (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one?
The canonical SMILES for (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one is C=C(C)C1C/C=C(\C)CC/C=C(/C)CCC2OC2(C)CC1=O.
What is the InChIKey of (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one?
The InChIKey is JLJMRDTYYDTGQL-MVTUEYSXSA-N. The full InChI is InChI=1S/C20H30O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)13-18(17)21/h8-9,17,19H,1,6-7,10-13H2,2-5H3/b15-9+,16-8-.
What are the key properties of (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one?
(6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-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 (6E,10Z)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one is sourced from PubChem (CID 6443381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).