2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one

C11H16O2 — CID 57270538

IUPAC2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one
SMILESCCCCC=CC1=CC(O)CC1=O
InChIInChI=1S/C11H16O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h5-7,10,12H,2-4,8H2,1H3
InChIKeyDAZLREUVSNQFPZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds4

About 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one

2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one (PubChem CID 57270538) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one
PubChem CID57270538
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one
SMILESCCCCC=CC1=CC(O)CC1=O
InChIInChI=1S/C11H16O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h5-7,10,12H,2-4,8H2,1H3
InChIKeyDAZLREUVSNQFPZ-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-but-1-enyl-4-hydroxycyclopent-2-en-1-one
CID 57121897
(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid
CID 163613460
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
3-hept-1-enyl-4,5-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
CID 163063918
2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
CID 10329344
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
(5S)-3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one
CID 162928954
ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
CID 134863248
3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
CID 22395801
(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
CID 13037858
2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione
CID 90841664

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one (CID 57270538) is 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one is CCCCC=CC1=CC(O)CC1=O.
What is the InChIKey of 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one?
The InChIKey is DAZLREUVSNQFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h5-7,10,12H,2-4,8H2,1H3.
What are the key properties of 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one?
2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 57270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).