14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one

C20H26O3 — CID 10686750

IUPAC14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one
SMILESCOc1c(C(C)C)cc2c(c1OC)CC1=C(CCCC1=O)CC2
InChIInChI=1S/C20H26O3/c1-12(2)15-10-14-9-8-13-6-5-7-18(21)16(13)11-17(14)20(23-4)19(15)22-3/h10,12H,5-9,11H2,1-4H3
InChIKeyUELDKWFIELDOBA-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.37
Rot. Bonds3

About 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one

14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one (PubChem CID 10686750) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one.

Molecular Properties

Compound Name14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one
PubChem CID10686750
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one
SMILESCOc1c(C(C)C)cc2c(c1OC)CC1=C(CCCC1=O)CC2
InChIInChI=1S/C20H26O3/c1-12(2)15-10-14-9-8-13-6-5-7-18(21)16(13)11-17(14)20(23-4)19(15)22-3/h10,12H,5-9,11H2,1-4H3
InChIKeyUELDKWFIELDOBA-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one?
The IUPAC name of 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one (CID 10686750) is 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one.
What is the SMILES notation for 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one?
The canonical SMILES for 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one is COc1c(C(C)C)cc2c(c1OC)CC1=C(CCCC1=O)CC2.
What is the InChIKey of 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one?
The InChIKey is UELDKWFIELDOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-12(2)15-10-14-9-8-13-6-5-7-18(21)16(13)11-17(14)20(23-4)19(15)22-3/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one?
14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one has a molecular weight of 314.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dimethoxy-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-one is sourced from PubChem (CID 10686750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).