3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane

C18H34 — CID 123248960

IUPAC3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane
SMILESCCCC(C)C1(C)CCC(C2C(C)CC2C)C1C
InChIInChI=1S/C18H34/c1-7-8-14(4)18(6)10-9-16(15(18)5)17-12(2)11-13(17)3/h12-17H,7-11H2,1-6H3
InChIKeyLJKWJQNPUIZQTK-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.77
Rot. Bonds4

About 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane

3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane (PubChem CID 123248960) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane.

Molecular Properties

Compound Name3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane
PubChem CID123248960
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane
SMILESCCCC(C)C1(C)CCC(C2C(C)CC2C)C1C
InChIInChI=1S/C18H34/c1-7-8-14(4)18(6)10-9-16(15(18)5)17-12(2)11-13(17)3/h12-17H,7-11H2,1-6H3
InChIKeyLJKWJQNPUIZQTK-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane?
The IUPAC name of 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane (CID 123248960) is 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane.
What is the SMILES notation for 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane?
The canonical SMILES for 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane is CCCC(C)C1(C)CCC(C2C(C)CC2C)C1C.
What is the InChIKey of 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane?
The InChIKey is LJKWJQNPUIZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-8-14(4)18(6)10-9-16(15(18)5)17-12(2)11-13(17)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane?
3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane has a molecular weight of 250.47 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylcyclobutyl)-1,2-dimethyl-1-pentan-2-ylcyclopentane is sourced from PubChem (CID 123248960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).