1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone

C9H14O2 — CID 45086008

IUPAC1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@]1(O)CC=C(C)CC1
InChIInChI=1S/C9H14O2/c1-7-3-5-9(11,6-4-7)8(2)10/h3,11H,4-6H2,1-2H3/t9-/m0/s1
InChIKeyLHHMWXJBVDAALF-VIFPVBQESA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds1

About 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone

1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone (PubChem CID 45086008) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone
PubChem CID45086008
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@]1(O)CC=C(C)CC1
InChIInChI=1S/C9H14O2/c1-7-3-5-9(11,6-4-7)8(2)10/h3,11H,4-6H2,1-2H3/t9-/m0/s1
InChIKeyLHHMWXJBVDAALF-VIFPVBQESA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
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 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone (CID 45086008) is 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone is CC(=O)[C@]1(O)CC=C(C)CC1.
What is the InChIKey of 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone?
The InChIKey is LHHMWXJBVDAALF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-7-3-5-9(11,6-4-7)8(2)10/h3,11H,4-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone?
1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-hydroxy-4-methylcyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 45086008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).