7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one

C20H28O — CID 123724811

IUPAC7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one
SMILESCC12CCC=CC1CCC13CC14CCC(=O)C4(C)CCC23
InChIInChI=1S/C20H28O/c1-17-9-4-3-5-14(17)6-11-19-13-20(19)12-8-16(21)18(20,2)10-7-15(17)19/h3,5,14-15H,4,6-13H2,1-2H3
InChIKeyXHOFJICPOFSDRE-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.91
Rot. Bonds

About 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one

7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one (PubChem CID 123724811) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one.

Molecular Properties

Compound Name7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one
PubChem CID123724811
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one
SMILESCC12CCC=CC1CCC13CC14CCC(=O)C4(C)CCC23
InChIInChI=1S/C20H28O/c1-17-9-4-3-5-14(17)6-11-19-13-20(19)12-8-16(21)18(20,2)10-7-15(17)19/h3,5,14-15H,4,6-13H2,1-2H3
InChIKeyXHOFJICPOFSDRE-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 57413870
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Frequently Asked Questions

What is the IUPAC name of 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one?
The IUPAC name of 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one (CID 123724811) is 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one.
What is the SMILES notation for 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one?
The canonical SMILES for 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one is CC12CCC=CC1CCC13CC14CCC(=O)C4(C)CCC23.
What is the InChIKey of 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one?
The InChIKey is XHOFJICPOFSDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-17-9-4-3-5-14(17)6-11-19-13-20(19)12-8-16(21)18(20,2)10-7-15(17)19/h3,5,14-15H,4,6-13H2,1-2H3.
What are the key properties of 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one?
7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one has a molecular weight of 284.44 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethylpentacyclo[8.8.0.01,3.03,7.011,16]octadec-14-en-6-one is sourced from PubChem (CID 123724811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).