(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one

C16H26O — CID 11160668

IUPAC(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one
SMILESC[C@@H]1CC(=O)C2=C(CCCCCCCCC2)C1
InChIInChI=1S/C16H26O/c1-13-11-14-9-7-5-3-2-4-6-8-10-15(14)16(17)12-13/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyZRNWGRZWAIZROS-ZDUSSCGKSA-N
MW234.38 g/mol
LogP4.81
Rot. Bonds

About (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one

(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one (PubChem CID 11160668) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one.

Molecular Properties

Compound Name(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one
PubChem CID11160668
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one
SMILESC[C@@H]1CC(=O)C2=C(CCCCCCCCC2)C1
InChIInChI=1S/C16H26O/c1-13-11-14-9-7-5-3-2-4-6-8-10-15(14)16(17)12-13/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyZRNWGRZWAIZROS-ZDUSSCGKSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one?
The IUPAC name of (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one (CID 11160668) is (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one.
What is the SMILES notation for (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one?
The canonical SMILES for (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one is C[C@@H]1CC(=O)C2=C(CCCCCCCCC2)C1.
What is the InChIKey of (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one?
The InChIKey is ZRNWGRZWAIZROS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26O/c1-13-11-14-9-7-5-3-2-4-6-8-10-15(14)16(17)12-13/h13H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one?
(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one has a molecular weight of 234.38 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one is sourced from PubChem (CID 11160668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).