1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane

C13H26 — CID 91069892

IUPAC1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
SMILESCCC(C(C)C)C1CC(C)CC1C
InChIInChI=1S/C13H26/c1-6-12(9(2)3)13-8-10(4)7-11(13)5/h9-13H,6-8H2,1-5H3
InChIKeyBQIGMEYFVXAUDM-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds3

About 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane

1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane (PubChem CID 91069892) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
PubChem CID91069892
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
SMILESCCC(C(C)C)C1CC(C)CC1C
InChIInChI=1S/C13H26/c1-6-12(9(2)3)13-8-10(4)7-11(13)5/h9-13H,6-8H2,1-5H3
InChIKeyBQIGMEYFVXAUDM-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-(5-methylheptan-3-yl)cyclopentane
CID 123939374
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
3-methyl-2-(2-methylcyclopropyl)butan-1-amine
CID 123264765
1,2-bis(2-methylpentan-3-yl)cyclopentane
CID 91097416
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647
3-methyl-4-(2-methylpentan-3-yl)piperidine
CID 143219576
1-methyl-2-(2-methyloctan-3-yl)cyclopropane
CID 123773820
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
1-methyl-2-(6-methyl-4-propylheptan-3-yl)cyclopropane
CID 123883056
1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane
CID 143219575
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane?
The IUPAC name of 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane (CID 91069892) is 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane?
The canonical SMILES for 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane is CCC(C(C)C)C1CC(C)CC1C.
What is the InChIKey of 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane?
The InChIKey is BQIGMEYFVXAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-12(9(2)3)13-8-10(4)7-11(13)5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane?
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane is sourced from PubChem (CID 91069892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).