5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one

C13H20O2 — CID 70452468

IUPAC5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one
SMILESCCCCCCC=CC1(O)CC=CC1=O
InChIInChI=1S/C13H20O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h7-10,15H,2-6,11H2,1H3
InChIKeyUKQYVWFURNTEHT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds6

About 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one

5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one (PubChem CID 70452468) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one
PubChem CID70452468
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one
SMILESCCCCCCC=CC1(O)CC=CC1=O
InChIInChI=1S/C13H20O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h7-10,15H,2-6,11H2,1H3
InChIKeyUKQYVWFURNTEHT-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione
CID 134843577
(E)-2-hydroxy-2-methyldodec-4-en-3-one
CID 135083682
(E)-1-(1-hydroxycyclohex-2-en-1-yl)hept-2-en-1-one
CID 139248698
6-Ethyl-6-hydroxycyclohexa-2,4-dien-1-one
CID 57085205
2-Hydroxy-2-prop-2-enylcyclopent-3-en-1-one
CID 68947962
5-Hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one
CID 70452467
5-Hydroxy-5-oct-2-enylcyclopent-2-en-1-one
CID 70452469
4-Hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one
CID 70598030
(4R)-4-hydroxy-4-oct-2-enylcyclopent-2-en-1-one
CID 139926562
4-Ethyl-4-hydroxyocta-1,6-diene-3,5-dione
CID 141093266
(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one
CID 143091862
1-(4-Acetyl-4-hydroxycyclohexa-1,5-dien-1-yl)ethanone
CID 175344274

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one (CID 70452468) is 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one is CCCCCCC=CC1(O)CC=CC1=O.
What is the InChIKey of 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one?
The InChIKey is UKQYVWFURNTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h7-10,15H,2-6,11H2,1H3.
What are the key properties of 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one?
5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-oct-1-enylcyclopent-2-en-1-one is sourced from PubChem (CID 70452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).