2-(1-hydroxypentyl)cyclopent-2-en-1-one

C10H16O2 — CID 11636872

IUPAC2-(1-hydroxypentyl)cyclopent-2-en-1-one
SMILESCCCCC(O)C1=CCCC1=O
InChIInChI=1S/C10H16O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h5,9,11H,2-4,6-7H2,1H3
InChIKeyTXXJPGHGUFFHQD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds4

About 2-(1-hydroxypentyl)cyclopent-2-en-1-one

2-(1-hydroxypentyl)cyclopent-2-en-1-one (PubChem CID 11636872) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1-hydroxypentyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(1-hydroxypentyl)cyclopent-2-en-1-one
PubChem CID11636872
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(1-hydroxypentyl)cyclopent-2-en-1-one
SMILESCCCCC(O)C1=CCCC1=O
InChIInChI=1S/C10H16O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h5,9,11H,2-4,6-7H2,1H3
InChIKeyTXXJPGHGUFFHQD-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-(1-hydroxypentyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(1-hydroxypentyl)cyclopent-2-en-1-one (CID 11636872) is 2-(1-hydroxypentyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(1-hydroxypentyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(1-hydroxypentyl)cyclopent-2-en-1-one is CCCCC(O)C1=CCCC1=O.
What is the InChIKey of 2-(1-hydroxypentyl)cyclopent-2-en-1-one?
The InChIKey is TXXJPGHGUFFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h5,9,11H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-hydroxypentyl)cyclopent-2-en-1-one?
2-(1-hydroxypentyl)cyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypentyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).