11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one

C17H26O3 — CID 15031563

IUPAC11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one
SMILESCOC1=CC(=O)C2(OC)C=C1CCCCCCCCC2
InChIInChI=1S/C17H26O3/c1-19-15-12-16(18)17(20-2)11-9-7-5-3-4-6-8-10-14(15)13-17/h12-13H,3-11H2,1-2H3
InChIKeyJQZPJAOTYUMUKB-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.94
Rot. Bonds2

About 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one

11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one (PubChem CID 15031563) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one.

Molecular Properties

Compound Name11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one
PubChem CID15031563
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one
SMILESCOC1=CC(=O)C2(OC)C=C1CCCCCCCCC2
InChIInChI=1S/C17H26O3/c1-19-15-12-16(18)17(20-2)11-9-7-5-3-4-6-8-10-14(15)13-17/h12-13H,3-11H2,1-2H3
InChIKeyJQZPJAOTYUMUKB-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(inverted exclamation markA)-CBCQ
CID 146657629
(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
(1R,3R,6Z,10S)-3,7,10,11,11,14-hexamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,13-triene-8,15-dione
CID 71740946
Scopranone Beta
CID 139591105
(9R)-9-methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 163007671
2-Butyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593193
(5R,8S)-2-methoxy-3,8-dimethyl-5-[(2S,4E)-6-methylhepta-4,6-dien-2-yl]-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 11336418
3-Butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10082847
(1-Dodecyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 14682045
(1E)-5,6-dimethoxy-1-pentylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004560
(1-Hexyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134994779

Frequently Asked Questions

What is the IUPAC name of 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one?
The IUPAC name of 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one (CID 15031563) is 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one.
What is the SMILES notation for 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one?
The canonical SMILES for 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one is COC1=CC(=O)C2(OC)C=C1CCCCCCCCC2.
What is the InChIKey of 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one?
The InChIKey is JQZPJAOTYUMUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-19-15-12-16(18)17(20-2)11-9-7-5-3-4-6-8-10-14(15)13-17/h12-13H,3-11H2,1-2H3.
What are the key properties of 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one?
11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one has a molecular weight of 278.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one is sourced from PubChem (CID 15031563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).