5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene

C15H24 — CID 22561157

IUPAC5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC(C)C(C)C(C)C1CC2C=CC1C2
InChIInChI=1S/C15H24/c1-5-10(2)11(3)12(4)15-9-13-6-7-14(15)8-13/h5-7,10-15H,1,8-9H2,2-4H3
InChIKeyVEZQXJBGVXZEJH-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.29
Rot. Bonds4

About 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene

5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene (PubChem CID 22561157) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
PubChem CID22561157
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC(C)C(C)C(C)C1CC2C=CC1C2
InChIInChI=1S/C15H24/c1-5-10(2)11(3)12(4)15-9-13-6-7-14(15)8-13/h5-7,10-15H,1,8-9H2,2-4H3
InChIKeyVEZQXJBGVXZEJH-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.29
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-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 22561154
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol
CID 130937613
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylcyclopentan-1-amine
CID 114543889
5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 22023885
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
5-(2-bicyclo[2.2.1]hept-5-enyl)hept-1-en-3-one
CID 147676790
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122254
5-decan-2-ylbicyclo[2.2.1]hept-2-ene
CID 58604181
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1-dioxothian-3-amine
CID 63924297

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene (CID 22561157) is 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene is C=CC(C)C(C)C(C)C1CC2C=CC1C2.
What is the InChIKey of 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is VEZQXJBGVXZEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-10(2)11(3)12(4)15-9-13-6-7-14(15)8-13/h5-7,10-15H,1,8-9H2,2-4H3.
What are the key properties of 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 204.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22561157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).