(6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one

C14H20O — CID 10655813

IUPAC(6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@]1([C@@H](C)C=C)CCC(C)=CC1=O
InChIInChI=1S/C14H20O/c1-5-8-14(12(4)6-2)9-7-11(3)10-13(14)15/h5-6,10,12H,1-2,7-9H2,3-4H3/t12-,14+/m0/s1
InChIKeyFQIRNBWKXBEMKJ-GXTWGEPZSA-N
MW204.31 g/mol
LogP3.68
Rot. Bonds4

About (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one

(6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one (PubChem CID 10655813) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one
PubChem CID10655813
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@]1([C@@H](C)C=C)CCC(C)=CC1=O
InChIInChI=1S/C14H20O/c1-5-8-14(12(4)6-2)9-7-11(3)10-13(14)15/h5-6,10,12H,1-2,7-9H2,3-4H3/t12-,14+/m0/s1
InChIKeyFQIRNBWKXBEMKJ-GXTWGEPZSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one with MolForge

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Related Compounds

ethyl 4-methyl-2-oxo-1-prop-2-enylcyclohex-3-ene-1-carboxylate
CID 138963660
methyl 4-methyl-2-oxo-1-propan-2-ylcyclohex-3-ene-1-carboxylate
CID 131859535
3-ethenyl-4-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14525737
(4R,5S)-5-methyl-4-propan-2-yl-5-prop-2-enylcyclopent-2-en-1-one
CID 131109256
(2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one
CID 134860842
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
6-methyl-6-prop-2-enylcyclohex-2-en-1-one
CID 13024680
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999
(1S,5S,8R)-8,11-dimethyl-5-propan-2-yl-2,4-dioxatricyclo[6.5.0.01,5]tridec-10-ene-3,9-dione
CID 102350851
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
(1R)-2-methyl-1-prop-2-enylcyclopent-2-en-1-ol
CID 101354191
(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one
CID 130643883

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one (CID 10655813) is (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one is C=CC[C@]1([C@@H](C)C=C)CCC(C)=CC1=O.
What is the InChIKey of (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is FQIRNBWKXBEMKJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20O/c1-5-8-14(12(4)6-2)9-7-11(3)10-13(14)15/h5-6,10,12H,1-2,7-9H2,3-4H3/t12-,14+/m0/s1.
What are the key properties of (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one?
(6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-but-3-en-2-yl]-3-methyl-6-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 10655813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).