1-(cyclohexen-1-yl)-2-hydroxypropan-1-one

C9H14O2 — CID 85039917

IUPAC1-(cyclohexen-1-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)C1=CCCCC1
InChIInChI=1S/C9H14O2/c1-7(10)9(11)8-5-3-2-4-6-8/h5,7,10H,2-4,6H2,1H3
InChIKeyWGGQANUTFFDNNA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds2

About 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one

1-(cyclohexen-1-yl)-2-hydroxypropan-1-one (PubChem CID 85039917) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-hydroxypropan-1-one
PubChem CID85039917
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(cyclohexen-1-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)C1=CCCCC1
InChIInChI=1S/C9H14O2/c1-7(10)9(11)8-5-3-2-4-6-8/h5,7,10H,2-4,6H2,1H3
InChIKeyWGGQANUTFFDNNA-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one (CID 85039917) is 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one is CC(O)C(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one?
The InChIKey is WGGQANUTFFDNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(10)9(11)8-5-3-2-4-6-8/h5,7,10H,2-4,6H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one?
1-(cyclohexen-1-yl)-2-hydroxypropan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 85039917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).