(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one

C18H28O3 — CID 102323204

IUPAC(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
SMILESCOC1=C[C@]2(C)CCCCCCCC[C@H](OC)C(=C1)C2=O
InChIInChI=1S/C18H28O3/c1-18-11-9-7-5-4-6-8-10-16(21-3)15(17(18)19)12-14(13-18)20-2/h12-13,16H,4-11H2,1-3H3/t16-,18-/m0/s1
InChIKeyRGIMSHKIGHZYLZ-WMZOPIPTSA-N
MW292.42 g/mol
LogP4.18
Rot. Bonds2

About (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one

(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one (PubChem CID 102323204) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one.

Molecular Properties

Compound Name(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
PubChem CID102323204
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
SMILESCOC1=C[C@]2(C)CCCCCCCC[C@H](OC)C(=C1)C2=O
InChIInChI=1S/C18H28O3/c1-18-11-9-7-5-4-6-8-10-16(21-3)15(17(18)19)12-14(13-18)20-2/h12-13,16H,4-11H2,1-3H3/t16-,18-/m0/s1
InChIKeyRGIMSHKIGHZYLZ-WMZOPIPTSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one with MolForge

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Related Compounds

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(3E)-3-[(E)-2-(difluoromethoxy)but-2-enylidene]-8-methoxy-2-methylidenespiro[4.5]decan-4-one
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(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraen-15-one
CID 24178865
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CID 24178866
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CID 24178867
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(5S)-2-methoxy-6,6-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
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(2R,12R)-14-methoxy-12-methyl-2-tri(propan-2-yl)silyloxybicyclo[10.3.1]hexadeca-1(15),13-dien-16-one
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Frequently Asked Questions

What is the IUPAC name of (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?
The IUPAC name of (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one (CID 102323204) is (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one.
What is the SMILES notation for (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?
The canonical SMILES for (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one is COC1=C[C@]2(C)CCCCCCCC[C@H](OC)C(=C1)C2=O.
What is the InChIKey of (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?
The InChIKey is RGIMSHKIGHZYLZ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28O3/c1-18-11-9-7-5-4-6-8-10-16(21-3)15(17(18)19)12-14(13-18)20-2/h12-13,16H,4-11H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?
(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one has a molecular weight of 292.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one is sourced from PubChem (CID 102323204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).