5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene

C11H18 — CID 21079931

IUPAC5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C)CC1CC2C=CC1C2
InChIInChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h3-4,8-11H,5-7H2,1-2H3
InChIKeyYOIUGOIMAYHZFY-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.24
Rot. Bonds2

About 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene

5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 21079931) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID21079931
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C)CC1CC2C=CC1C2
InChIInChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h3-4,8-11H,5-7H2,1-2H3
InChIKeyYOIUGOIMAYHZFY-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.24
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

(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
CID 22228993
CID 22228993
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylpentan-2-amine
CID 43775722
5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
CID 140644902
(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine
CID 98118059
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
CID 123207984
CID 123207984
2-bicyclo[2.2.1]hept-5-enylmethoxy-tri(propan-2-yl)silane
CID 100919043
2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
CID 169244944
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene (CID 21079931) is 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene is CC(C)CC1CC2C=CC1C2.
What is the InChIKey of 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is YOIUGOIMAYHZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 150.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21079931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).