2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane

C14H22 — CID 123196166

IUPAC2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC(C3CC3C)C(C2)C1(C)C
InChIInChI=1S/C14H22/c1-8-5-11(8)12-6-10-7-13(12)14(3,4)9(10)2/h8,10-13H,2,5-7H2,1,3-4H3
InChIKeyXRIANBMGTYWLHW-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.88
Rot. Bonds1

About 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane

2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 123196166) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane
PubChem CID123196166
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC(C3CC3C)C(C2)C1(C)C
InChIInChI=1S/C14H22/c1-8-5-11(8)12-6-10-7-13(12)14(3,4)9(10)2/h8,10-13H,2,5-7H2,1,3-4H3
InChIKeyXRIANBMGTYWLHW-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

2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
CID 19065853
(1R,2R,4S,5S)-6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane
CID 10534829
(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 15775267
(4S,7S,8S)-4,7,8-trimethyl-4-(methylideneamino)-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,3-diol
CID 163546696
2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
CID 12616171
1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene
CID 25203405
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
1,3-dimethylbicyclo[2.1.0]pentane
CID 91176619

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane (CID 123196166) is 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CC(C3CC3C)C(C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is XRIANBMGTYWLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-8-5-11(8)12-6-10-7-13(12)14(3,4)9(10)2/h8,10-13H,2,5-7H2,1,3-4H3.
What are the key properties of 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane?
2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane 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 2,2-dimethyl-6-(2-methylcyclopropyl)-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 123196166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).