(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one

C7H10O2 — CID 25053498

IUPAC(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one
SMILESC[C@H]1C[C@H](O)C=CC1=O
InChIInChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h2-3,5-6,8H,4H2,1H3/t5-,6+/m0/s1
InChIKeyNLVFVKDQCUAOQA-NTSWFWBYSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds

About (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one

(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one (PubChem CID 25053498) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one
PubChem CID25053498
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one
SMILESC[C@H]1C[C@H](O)C=CC1=O
InChIInChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h2-3,5-6,8H,4H2,1H3/t5-,6+/m0/s1
InChIKeyNLVFVKDQCUAOQA-NTSWFWBYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one (CID 25053498) is (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one is C[C@H]1C[C@H](O)C=CC1=O.
What is the InChIKey of (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one?
The InChIKey is NLVFVKDQCUAOQA-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h2-3,5-6,8H,4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one?
(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 25053498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).