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

C7H10O3 — CID 24814600

IUPAC(4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
SMILESC[C@]1(O)C[C@H](O)C=CC1=O
InChIInChI=1S/C7H10O3/c1-7(10)4-5(8)2-3-6(7)9/h2-3,5,8,10H,4H2,1H3/t5-,7+/m1/s1
InChIKeyZBSWHAYEOAYFRL-VDTYLAMSSA-N
MW142.15 g/mol
LogP-0.37
Rot. Bonds

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

(4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one (PubChem CID 24814600) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
PubChem CID24814600
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
SMILESC[C@]1(O)C[C@H](O)C=CC1=O
InChIInChI=1S/C7H10O3/c1-7(10)4-5(8)2-3-6(7)9/h2-3,5,8,10H,4H2,1H3/t5-,7+/m1/s1
InChIKeyZBSWHAYEOAYFRL-VDTYLAMSSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one (CID 24814600) is (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one is C[C@]1(O)C[C@H](O)C=CC1=O.
What is the InChIKey of (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one?
The InChIKey is ZBSWHAYEOAYFRL-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(10)4-5(8)2-3-6(7)9/h2-3,5,8,10H,4H2,1H3/t5-,7+/m1/s1.
What are the key properties of (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one?
(4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4,6-dihydroxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 24814600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).