1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone

C10H16O2 — CID 539345

IUPAC1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone
SMILESCC(=O)C1=C(C(C)O)CCCC1
InChIInChI=1S/C10H16O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h7,11H,3-6H2,1-2H3
InChIKeyUHXBOSDUGUMABJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds2

About 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone

1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone (PubChem CID 539345) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone
PubChem CID539345
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone
SMILESCC(=O)C1=C(C(C)O)CCCC1
InChIInChI=1S/C10H16O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h7,11H,3-6H2,1-2H3
InChIKeyUHXBOSDUGUMABJ-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone?
The IUPAC name of 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone (CID 539345) is 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone is CC(=O)C1=C(C(C)O)CCCC1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone?
The InChIKey is UHXBOSDUGUMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone?
1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)cyclohexen-1-yl]ethanone is sourced from PubChem (CID 539345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).