5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one

C13H18O2 — CID 123737061

IUPAC5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one
SMILESCCC=CCC(O)CC=C1CC=CC1=O
InChIInChI=1S/C13H18O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15/h3-5,8-9,12,14H,2,6-7,10H2,1H3
InChIKeyINSULQZWGNFHLL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.55
Rot. Bonds5

About 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one

5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one (PubChem CID 123737061) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one
PubChem CID123737061
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one
SMILESCCC=CCC(O)CC=C1CC=CC1=O
InChIInChI=1S/C13H18O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15/h3-5,8-9,12,14H,2,6-7,10H2,1H3
InChIKeyINSULQZWGNFHLL-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(Z)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one
CID 130467751
[(Z,1E)-1-(2-oxocyclopent-3-en-1-ylidene)oct-5-en-3-yl] (Z)-hept-5-enoate
CID 145374207
3-(2-hydroxyethyl)-5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one
CID 123279542
methyl (Z)-hept-5-enoate;(5E)-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one
CID 144818111
(Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 71497989
methyl (Z)-6-[(1R,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hex-4-enoate
CID 155809003
(E,2S,4S)-non-6-ene-2,4-diol
CID 102156036
4-(2,2-dimethoxyethyl)-5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-ol
CID 123485534
2,5-dihydroxydec-7-en-3-one
CID 159505042
12-hydroxyheptadec-14-enoic acid
CID 169277009
17-hydroxydocos-19-enoic acid
CID 169277016
methyl 5-hydroxydec-7-enoate
CID 175764045

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one?
The IUPAC name of 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one (CID 123737061) is 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one.
What is the SMILES notation for 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one?
The canonical SMILES for 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one is CCC=CCC(O)CC=C1CC=CC1=O.
What is the InChIKey of 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one?
The InChIKey is INSULQZWGNFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15/h3-5,8-9,12,14H,2,6-7,10H2,1H3.
What are the key properties of 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one?
5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 123737061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).