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

C11H18 — CID 54084264

IUPAC2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C)CC1=CC2CCC1C2
InChIInChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h7-10H,3-6H2,1-2H3
InChIKeyMPHKOHVUQVAECC-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds2

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

2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 54084264) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID54084264
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C)CC1=CC2CCC1C2
InChIInChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h7-10H,3-6H2,1-2H3
InChIKeyMPHKOHVUQVAECC-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene
CID 24773290
1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropane-2-sulfonamide
CID 91281991
2-hexan-2-ylbicyclo[2.2.1]hept-2-ene
CID 54571107
CID 174987416
CID 174987416
2-oct-7-enylbicyclo[2.2.1]hept-2-ene
CID 57167492
5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide
CID 54027174
2-bicyclo[2.2.2]oct-2-enylmethanamine
CID 142133548
2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
CID 174973314
(1S)-2-phenylbicyclo[2.2.1]hept-2-ene
CID 91330733
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(prop-2-enoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 70150863
4-methyl-1-(2-methylpropyl)cyclobutene
CID 123924362
2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline
CID 123376738

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene (CID 54084264) is 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene is CC(C)CC1=CC2CCC1C2.
What is the InChIKey of 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MPHKOHVUQVAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene?
2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 150.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 54084264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).