5-hex-1-enylbicyclo[2.2.1]hept-2-ene

C13H20 — CID 54301610

IUPAC5-hex-1-enylbicyclo[2.2.1]hept-2-ene
SMILESCCCCC=CC1CC2C=CC1C2
InChIInChI=1S/C13H20/c1-2-3-4-5-6-12-9-11-7-8-13(12)10-11/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeySEPGBJAGPSIRQL-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.94
Rot. Bonds4

About 5-hex-1-enylbicyclo[2.2.1]hept-2-ene

5-hex-1-enylbicyclo[2.2.1]hept-2-ene (PubChem CID 54301610) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-hex-1-enylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-hex-1-enylbicyclo[2.2.1]hept-2-ene
PubChem CID54301610
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-hex-1-enylbicyclo[2.2.1]hept-2-ene
SMILESCCCCC=CC1CC2C=CC1C2
InChIInChI=1S/C13H20/c1-2-3-4-5-6-12-9-11-7-8-13(12)10-11/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeySEPGBJAGPSIRQL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.94
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

5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
5-(2-methylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
CID 54568548
5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
CID 139788665
(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
CID 89078069
1-ethenyl-2-[(Z)-hex-1-enyl]cyclopropane
CID 5367331
[(E)-hex-1-enyl]cyclopropane
CID 5352188
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 118065983
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
(E)-3-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-enoic acid
CID 44607797

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-enylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-hex-1-enylbicyclo[2.2.1]hept-2-ene (CID 54301610) is 5-hex-1-enylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-hex-1-enylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-hex-1-enylbicyclo[2.2.1]hept-2-ene is CCCCC=CC1CC2C=CC1C2.
What is the InChIKey of 5-hex-1-enylbicyclo[2.2.1]hept-2-ene?
The InChIKey is SEPGBJAGPSIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-3-4-5-6-12-9-11-7-8-13(12)10-11/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of 5-hex-1-enylbicyclo[2.2.1]hept-2-ene?
5-hex-1-enylbicyclo[2.2.1]hept-2-ene has a molecular weight of 176.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-enylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 54301610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).