1-hex-5-enylcyclohexene

C12H20 — CID 123683483

IUPAC1-hex-5-enylcyclohexene
SMILESC=CCCCCC1=CCCCC1
InChIInChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2,10H,1,3-9,11H2
InChIKeyPCRHVKAMQGPOPL-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds5

About 1-hex-5-enylcyclohexene

1-hex-5-enylcyclohexene (PubChem CID 123683483) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-hex-5-enylcyclohexene.

Molecular Properties

Compound Name1-hex-5-enylcyclohexene
PubChem CID123683483
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-hex-5-enylcyclohexene
SMILESC=CCCCCC1=CCCCC1
InChIInChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2,10H,1,3-9,11H2
InChIKeyPCRHVKAMQGPOPL-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-octadec-9-enylcyclohexene
CID 123690376
1-pentylcyclododecene
CID 150654776
1-octylcyclohexene
CID 519088
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
1-butylcyclononene
CID 56981158
1-pent-4-enylcyclopropene
CID 54394437
1-(cyclohexen-1-yl)-N-propylnon-8-en-2-amine
CID 107009676
1-(4-bromobutyl)cyclopentene
CID 14243708
3-hept-6-enylcyclohex-2-en-1-ol
CID 107010524
1-(cyclohexen-1-yl)-N-propylhept-6-en-2-amine
CID 116662062

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enylcyclohexene?
The IUPAC name of 1-hex-5-enylcyclohexene (CID 123683483) is 1-hex-5-enylcyclohexene.
What is the SMILES notation for 1-hex-5-enylcyclohexene?
The canonical SMILES for 1-hex-5-enylcyclohexene is C=CCCCCC1=CCCCC1.
What is the InChIKey of 1-hex-5-enylcyclohexene?
The InChIKey is PCRHVKAMQGPOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2,10H,1,3-9,11H2.
What are the key properties of 1-hex-5-enylcyclohexene?
1-hex-5-enylcyclohexene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enylcyclohexene is sourced from PubChem (CID 123683483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).