10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one

C16H24O3 — CID 15031562

IUPAC10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one
SMILESCOC1=CC(=O)C2(OC)C=C1CCCCCCCC2
InChIInChI=1S/C16H24O3/c1-18-14-11-15(17)16(19-2)10-8-6-4-3-5-7-9-13(14)12-16/h11-12H,3-10H2,1-2H3
InChIKeyJRDMVRYYEVOQPU-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.55
Rot. Bonds2

About 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one

10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one (PubChem CID 15031562) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one.

Molecular Properties

Compound Name10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one
PubChem CID15031562
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one
SMILESCOC1=CC(=O)C2(OC)C=C1CCCCCCCC2
InChIInChI=1S/C16H24O3/c1-18-14-11-15(17)16(19-2)10-8-6-4-3-5-7-9-13(14)12-16/h11-12H,3-10H2,1-2H3
InChIKeyJRDMVRYYEVOQPU-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(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
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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
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Frequently Asked Questions

What is the IUPAC name of 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one?
The IUPAC name of 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one (CID 15031562) is 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one.
What is the SMILES notation for 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one?
The canonical SMILES for 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one is COC1=CC(=O)C2(OC)C=C1CCCCCCCC2.
What is the InChIKey of 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one?
The InChIKey is JRDMVRYYEVOQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-18-14-11-15(17)16(19-2)10-8-6-4-3-5-7-9-13(14)12-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one?
10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one has a molecular weight of 264.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one is sourced from PubChem (CID 15031562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).