(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one

C15H24O — CID 10421034

IUPAC(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
SMILESCC(C)=CCC[C@H](C)[C@H]1CCC(C)=CC1=O
InChIInChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1
InChIKeyKNOUERLLBMJGLF-UONOGXRCSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds4

About (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one

(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one (PubChem CID 10421034) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
PubChem CID10421034
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
SMILESCC(C)=CCC[C@H](C)[C@H]1CCC(C)=CC1=O
InChIInChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1
InChIKeyKNOUERLLBMJGLF-UONOGXRCSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one (CID 10421034) is (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one is CC(C)=CCC[C@H](C)[C@H]1CCC(C)=CC1=O.
What is the InChIKey of (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one?
The InChIKey is KNOUERLLBMJGLF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one?
(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 10421034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).