1-oct-1-enylcyclopentene

C13H22 — CID 134887291

IUPAC1-oct-1-enylcyclopentene
SMILESCCCCCCC=CC1=CCCC1
InChIInChI=1S/C13H22/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10-11H,2-6,8-9,12H2,1H3
InChIKeyKCQISHQNYUKVOE-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.62
Rot. Bonds6

About 1-oct-1-enylcyclopentene

1-oct-1-enylcyclopentene (PubChem CID 134887291) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-oct-1-enylcyclopentene.

Molecular Properties

Compound Name1-oct-1-enylcyclopentene
PubChem CID134887291
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-oct-1-enylcyclopentene
SMILESCCCCCCC=CC1=CCCC1
InChIInChI=1S/C13H22/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10-11H,2-6,8-9,12H2,1H3
InChIKeyKCQISHQNYUKVOE-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-hept-1-enyl]cyclohexene
CID 173298368
1-octadec-9-enylcyclohexene
CID 123690376
[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene
CID 140946016
2-hexadec-2-enoylcyclohex-2-en-1-one
CID 91412646
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-enylcyclopentene?
The IUPAC name of 1-oct-1-enylcyclopentene (CID 134887291) is 1-oct-1-enylcyclopentene.
What is the SMILES notation for 1-oct-1-enylcyclopentene?
The canonical SMILES for 1-oct-1-enylcyclopentene is CCCCCCC=CC1=CCCC1.
What is the InChIKey of 1-oct-1-enylcyclopentene?
The InChIKey is KCQISHQNYUKVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10-11H,2-6,8-9,12H2,1H3.
What are the key properties of 1-oct-1-enylcyclopentene?
1-oct-1-enylcyclopentene has a molecular weight of 178.32 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-enylcyclopentene is sourced from PubChem (CID 134887291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).