1,3-dimethyl-1-(3-methylbutyl)cyclopentane

C12H24 — CID 91534929

IUPAC1,3-dimethyl-1-(3-methylbutyl)cyclopentane
SMILESCC(C)CCC1(C)CCC(C)C1
InChIInChI=1S/C12H24/c1-10(2)5-7-12(4)8-6-11(3)9-12/h10-11H,5-9H2,1-4H3
InChIKeyPTSSAPXKZTWKIG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds3

About 1,3-dimethyl-1-(3-methylbutyl)cyclopentane

1,3-dimethyl-1-(3-methylbutyl)cyclopentane (PubChem CID 91534929) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-dimethyl-1-(3-methylbutyl)cyclopentane.

Molecular Properties

Compound Name1,3-dimethyl-1-(3-methylbutyl)cyclopentane
PubChem CID91534929
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-dimethyl-1-(3-methylbutyl)cyclopentane
SMILESCC(C)CCC1(C)CCC(C)C1
InChIInChI=1S/C12H24/c1-10(2)5-7-12(4)8-6-11(3)9-12/h10-11H,5-9H2,1-4H3
InChIKeyPTSSAPXKZTWKIG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(3-methylbutyl)cyclopentane?
The IUPAC name of 1,3-dimethyl-1-(3-methylbutyl)cyclopentane (CID 91534929) is 1,3-dimethyl-1-(3-methylbutyl)cyclopentane.
What is the SMILES notation for 1,3-dimethyl-1-(3-methylbutyl)cyclopentane?
The canonical SMILES for 1,3-dimethyl-1-(3-methylbutyl)cyclopentane is CC(C)CCC1(C)CCC(C)C1.
What is the InChIKey of 1,3-dimethyl-1-(3-methylbutyl)cyclopentane?
The InChIKey is PTSSAPXKZTWKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-10(2)5-7-12(4)8-6-11(3)9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-1-(3-methylbutyl)cyclopentane?
1,3-dimethyl-1-(3-methylbutyl)cyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 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-(3-methylbutyl)cyclopentane is sourced from PubChem (CID 91534929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).