3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane

C20H36 — CID 163885424

IUPAC3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
SMILESCC1(C2CCCC2)CCC2C(C1)C2C(C)(C)C(C)(C)C
InChIInChI=1S/C20H36/c1-18(2,3)19(4,5)17-15-11-12-20(6,13-16(15)17)14-9-7-8-10-14/h14-17H,7-13H2,1-6H3
InChIKeyPWXLOKJRWVVIFW-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.30
Rot. Bonds2

About 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane

3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane (PubChem CID 163885424) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
PubChem CID163885424
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
SMILESCC1(C2CCCC2)CCC2C(C1)C2C(C)(C)C(C)(C)C
InChIInChI=1S/C20H36/c1-18(2,3)19(4,5)17-15-11-12-20(6,13-16(15)17)14-9-7-8-10-14/h14-17H,7-13H2,1-6H3
InChIKeyPWXLOKJRWVVIFW-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-chloro-1-methylcyclopentyl)cycloheptane
CID 116540220
(1-methylcyclopentyl)cyclohexane
CID 13217819
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
(1,3-dimethylcyclobutyl)cyclopentane
CID 146720306
(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 640677
3-cyclohexyl-3-methyl-N-propylcyclopentan-1-amine
CID 116539796
1-tert-butylbicyclo[4.1.0]heptane
CID 13029060
1,4-dimethyltricyclo[3.2.1.03,8]octane
CID 163690199
4-cyclohexyl-4-methyloxane
CID 58667675
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
The IUPAC name of 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane (CID 163885424) is 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
The canonical SMILES for 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane is CC1(C2CCCC2)CCC2C(C1)C2C(C)(C)C(C)(C)C.
What is the InChIKey of 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
The InChIKey is PWXLOKJRWVVIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-18(2,3)19(4,5)17-15-11-12-20(6,13-16(15)17)14-9-7-8-10-14/h14-17H,7-13H2,1-6H3.
What are the key properties of 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane has a molecular weight of 276.51 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 163885424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).