1-methyl-2-(4-methylhexan-2-yl)cyclopentane

C13H26 — CID 123800434

IUPAC1-methyl-2-(4-methylhexan-2-yl)cyclopentane
SMILESCCC(C)CC(C)C1CCCC1C
InChIInChI=1S/C13H26/c1-5-10(2)9-12(4)13-8-6-7-11(13)3/h10-13H,5-9H2,1-4H3
InChIKeyBMLANGYPSQCBMD-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds4

About 1-methyl-2-(4-methylhexan-2-yl)cyclopentane

1-methyl-2-(4-methylhexan-2-yl)cyclopentane (PubChem CID 123800434) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-2-(4-methylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name1-methyl-2-(4-methylhexan-2-yl)cyclopentane
PubChem CID123800434
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-2-(4-methylhexan-2-yl)cyclopentane
SMILESCCC(C)CC(C)C1CCCC1C
InChIInChI=1S/C13H26/c1-5-10(2)9-12(4)13-8-6-7-11(13)3/h10-13H,5-9H2,1-4H3
InChIKeyBMLANGYPSQCBMD-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-Dimethylnonane
CID 86541
(1alpha,2alpha,4beta)-1,2,4-Trimethylcyclopentane
CID 17779
1,2,3-Trimethylcyclopentane
CID 35368
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
Isobutylcyclopentane
CID 77414
(1R,2S)-1-heptyl-2-octylcyclopentane
CID 107873
Propylcyclopentane
CID 16270
Octane, 2,3,7-trimethyl-
CID 43867
3,4-Dimethyloctane
CID 85926
Pentylcyclopentane
CID 19540
Decylcyclopentane
CID 137211
Cyclopentane, 1-butyl-2-propyl-
CID 112469

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylhexan-2-yl)cyclopentane?
The IUPAC name of 1-methyl-2-(4-methylhexan-2-yl)cyclopentane (CID 123800434) is 1-methyl-2-(4-methylhexan-2-yl)cyclopentane.
What is the SMILES notation for 1-methyl-2-(4-methylhexan-2-yl)cyclopentane?
The canonical SMILES for 1-methyl-2-(4-methylhexan-2-yl)cyclopentane is CCC(C)CC(C)C1CCCC1C.
What is the InChIKey of 1-methyl-2-(4-methylhexan-2-yl)cyclopentane?
The InChIKey is BMLANGYPSQCBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-10(2)9-12(4)13-8-6-7-11(13)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-2-(4-methylhexan-2-yl)cyclopentane?
1-methyl-2-(4-methylhexan-2-yl)cyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylhexan-2-yl)cyclopentane is sourced from PubChem (CID 123800434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).