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

C13H26 — CID 123191359

IUPAC1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane
SMILESCCCC(C)(C)C1(C)CCC(C)C1
InChIInChI=1S/C13H26/c1-6-8-12(3,4)13(5)9-7-11(2)10-13/h11H,6-10H2,1-5H3
InChIKeyGYCSMHDEQMIEKE-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds3

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

1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane (PubChem CID 123191359) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane.

Molecular Properties

Compound Name1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane
PubChem CID123191359
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane
SMILESCCCC(C)(C)C1(C)CCC(C)C1
InChIInChI=1S/C13H26/c1-6-8-12(3,4)13(5)9-7-11(2)10-13/h11H,6-10H2,1-5H3
InChIKeyGYCSMHDEQMIEKE-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylpentan-2-yl)bicyclo[2.2.1]heptane
CID 123762100
1,1,4-trimethyl-2,2-bis(3-methylhexan-3-ylperoxy)cyclohexane
CID 101294749
1-butyl-1,3-dimethylcyclopentane
CID 123273889
2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 174266527
1-[bis(2-methylpentan-2-ylperoxy)methyl]-1,3-dimethylcyclohexane
CID 141049093
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1-(1-amino-2-methylpropan-2-yl)-3-methylcyclopentan-1-ol
CID 79125565
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine
CID 138507678
1-ethyl-3-methyl-N-propylcyclopentan-1-amine
CID 145367568

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane?
The IUPAC name of 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane (CID 123191359) is 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane.
What is the SMILES notation for 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane?
The canonical SMILES for 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane is CCCC(C)(C)C1(C)CCC(C)C1.
What is the InChIKey of 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane?
The InChIKey is GYCSMHDEQMIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-8-12(3,4)13(5)9-7-11(2)10-13/h11H,6-10H2,1-5H3.
What are the key properties of 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane?
1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane is sourced from PubChem (CID 123191359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).