(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one

C10H14O2 — CID 10931798

IUPAC(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one
SMILESC=C(CO)[C@@H]1CCC(C)=CC1=O
InChIInChI=1S/C10H14O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h5,9,11H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyZJSZACLOYIXLBT-VIFPVBQESA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one

(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one (PubChem CID 10931798) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one
PubChem CID10931798
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one
SMILESC=C(CO)[C@@H]1CCC(C)=CC1=O
InChIInChI=1S/C10H14O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h5,9,11H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyZJSZACLOYIXLBT-VIFPVBQESA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one (CID 10931798) is (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one is C=C(CO)[C@@H]1CCC(C)=CC1=O.
What is the InChIKey of (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one?
The InChIKey is ZJSZACLOYIXLBT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h5,9,11H,2-4,6H2,1H3/t9-/m0/s1.
What are the key properties of (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one?
(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10931798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).