5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene

C14H22 — CID 20708566

IUPAC5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1CC(C)C(C2CC3C=CC2C3)C1
InChIInChI=1S/C14H22/c1-9-5-10(2)13(6-9)14-8-11-3-4-12(14)7-11/h3-4,9-14H,5-8H2,1-2H3
InChIKeyGROQAHCGCOHLOE-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.88
Rot. Bonds1

About 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene

5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20708566) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
PubChem CID20708566
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1CC(C)C(C2CC3C=CC2C3)C1
InChIInChI=1S/C14H22/c1-9-5-10(2)13(6-9)14-8-11-3-4-12(14)7-11/h3-4,9-14H,5-8H2,1-2H3
InChIKeyGROQAHCGCOHLOE-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.88
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-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
CID 163949457
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
tricyclo[4.2.1.03,8]non-4-ene
CID 15329735
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 15829496
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane
CID 68977297
5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 158918513
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane
CID 22138468
methane;1,2,4-trimethylcyclopentane
CID 157268000

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene (CID 20708566) is 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene is CC1CC(C)C(C2CC3C=CC2C3)C1.
What is the InChIKey of 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is GROQAHCGCOHLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-9-5-10(2)13(6-9)14-8-11-3-4-12(14)7-11/h3-4,9-14H,5-8H2,1-2H3.
What are the key properties of 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 190.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20708566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).