6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one

C11H18O2 — CID 11309900

IUPAC6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one
SMILESCCC(O)(CC)C1CCC=CC1=O
InChIInChI=1S/C11H18O2/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyNZVWJGUOYGYQFM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds3

About 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one

6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one (PubChem CID 11309900) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one
PubChem CID11309900
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one
SMILESCCC(O)(CC)C1CCC=CC1=O
InChIInChI=1S/C11H18O2/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyNZVWJGUOYGYQFM-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 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one?
The IUPAC name of 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one (CID 11309900) is 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one?
The canonical SMILES for 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one is CCC(O)(CC)C1CCC=CC1=O.
What is the InChIKey of 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one?
The InChIKey is NZVWJGUOYGYQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h6,8-9,13H,3-5,7H2,1-2H3.
What are the key properties of 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one?
6-(3-hydroxypentan-3-yl)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 6-(3-hydroxypentan-3-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 11309900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).