1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one

C9H14O2 — CID 130026688

IUPAC1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
SMILESCC(=O)C(O)C1CC=CCC1
InChIInChI=1S/C9H14O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-3,8-9,11H,4-6H2,1H3
InChIKeyKZIJRTCRHGPRCK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds2

About 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one

1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one (PubChem CID 130026688) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
PubChem CID130026688
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
SMILESCC(=O)C(O)C1CC=CCC1
InChIInChI=1S/C9H14O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-3,8-9,11H,4-6H2,1H3
InChIKeyKZIJRTCRHGPRCK-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclohex-3-en-1-yl-2-methylprop-2-en-1-ol
CID 79190134
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
1-cyclohex-3-en-1-yl-3-methylbut-2-en-1-ol
CID 79190135
bis[di(cyclohex-3-en-1-yl)methyl] butanedioate
CID 70611363
1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol
CID 130564616
1-cyclohex-3-en-1-yl-4-methylsulfonylbutan-1-ol
CID 65150116
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one
CID 130026689
(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal
CID 129362209
2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid
CID 43803733
(2S)-1-[(1S)-cyclohex-3-en-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 134993534
3-cyclohex-3-en-1-ylbutanal
CID 87133688

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one?
The IUPAC name of 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one (CID 130026688) is 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one?
The canonical SMILES for 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one is CC(=O)C(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one?
The InChIKey is KZIJRTCRHGPRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-3,8-9,11H,4-6H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one?
1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one is sourced from PubChem (CID 130026688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).