6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one

C9H14O2 — CID 130037393

IUPAC6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(C(C)O)CC1
InChIInChI=1S/C9H14O2/c1-6-3-4-8(7(2)10)9(11)5-6/h5,7-8,10H,3-4H2,1-2H3
InChIKeyDWLQCFLAISPSEP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds1

About 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one

6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one (PubChem CID 130037393) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
PubChem CID130037393
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(C(C)O)CC1
InChIInChI=1S/C9H14O2/c1-6-3-4-8(7(2)10)9(11)5-6/h5,7-8,10H,3-4H2,1-2H3
InChIKeyDWLQCFLAISPSEP-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-3-methyl-6-[(E,2R)-6-oxohept-4-en-2-yl]cyclohex-2-en-1-one
CID 162892250
(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
CID 130737248
(6S)-6-acetyl-3-methylcyclohex-2-en-1-one
CID 92840169
(6R)-3-methyl-6-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]cyclohex-2-en-1-one
CID 162862824
[(R)-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]-(4-nitrophenyl)methyl] acetate
CID 102522770
(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one
CID 10931798
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
CID 10773377
2-(1-hydroxyethyl)-4-methylcyclohexan-1-one
CID 23443048
(4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130858490
1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
CID 118112369
3-methyl-6-phenoxycyclohex-2-en-1-one
CID 139765945

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one (CID 130037393) is 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one is CC1=CC(=O)C(C(C)O)CC1.
What is the InChIKey of 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one?
The InChIKey is DWLQCFLAISPSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-3-4-8(7(2)10)9(11)5-6/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one?
6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 130037393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).