2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one

C11H18O2 — CID 10856130

IUPAC2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one
SMILESCC(C)CC(O)C1=CCCCC1=O
InChIInChI=1S/C11H18O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h5,8,11,13H,3-4,6-7H2,1-2H3
InChIKeyOYJICWGXDDIEBE-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds3

About 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one

2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one (PubChem CID 10856130) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one
PubChem CID10856130
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one
SMILESCC(C)CC(O)C1=CCCCC1=O
InChIInChI=1S/C11H18O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h5,8,11,13H,3-4,6-7H2,1-2H3
InChIKeyOYJICWGXDDIEBE-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one (CID 10856130) is 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one is CC(C)CC(O)C1=CCCCC1=O.
What is the InChIKey of 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one?
The InChIKey is OYJICWGXDDIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h5,8,11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one?
2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one is sourced from PubChem (CID 10856130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).