5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene

C15H24 — CID 139788665

IUPAC5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCCC(=CC1CC2C=CC1C2)CC
InChIInChI=1S/C15H24/c1-3-5-6-12(4-2)9-15-11-13-7-8-14(15)10-13/h7-9,13-15H,3-6,10-11H2,1-2H3
InChIKeyJJDSUTCTYQTKLV-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds5

About 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene

5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 139788665) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
PubChem CID139788665
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCCC(=CC1CC2C=CC1C2)CC
InChIInChI=1S/C15H24/c1-3-5-6-12(4-2)9-15-11-13-7-8-14(15)10-13/h7-9,13-15H,3-6,10-11H2,1-2H3
InChIKeyJJDSUTCTYQTKLV-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
CID 54568548
(2Z)-2-(2-bicyclo[2.2.1]hept-5-enylmethylidene)butanal
CID 15103188
5-hex-1-enylbicyclo[2.2.1]hept-2-ene
CID 54301610
(E)-5-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpent-4-enoic acid
CID 166666569
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide
CID 4146094
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]hexan-1-one
CID 102272291
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride;hexadecanoyl chloride
CID 90067805
(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 58746218
butyl (1S,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11074293

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene (CID 139788665) is 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene is CCCCC(=CC1CC2C=CC1C2)CC.
What is the InChIKey of 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is JJDSUTCTYQTKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-5-6-12(4-2)9-15-11-13-7-8-14(15)10-13/h7-9,13-15H,3-6,10-11H2,1-2H3.
What are the key properties of 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene?
5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhex-1-enyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139788665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).