1-(2,2-dimethylbutyl)-3-ethylcyclopentane

C13H26 — CID 91360585

IUPAC1-(2,2-dimethylbutyl)-3-ethylcyclopentane
SMILESCCC1CCC(CC(C)(C)CC)C1
InChIInChI=1S/C13H26/c1-5-11-7-8-12(9-11)10-13(3,4)6-2/h11-12H,5-10H2,1-4H3
InChIKeyULPBHYITUFYXSW-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds4

About 1-(2,2-dimethylbutyl)-3-ethylcyclopentane

1-(2,2-dimethylbutyl)-3-ethylcyclopentane (PubChem CID 91360585) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3-ethylcyclopentane.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3-ethylcyclopentane
PubChem CID91360585
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-(2,2-dimethylbutyl)-3-ethylcyclopentane
SMILESCCC1CCC(CC(C)(C)CC)C1
InChIInChI=1S/C13H26/c1-5-11-7-8-12(9-11)10-13(3,4)6-2/h11-12H,5-10H2,1-4H3
InChIKeyULPBHYITUFYXSW-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diethylcyclopentane
CID 530396
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
CID 162292801
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
CID 123152522
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
[(1R,3R)-3-(2,2-dimethylpropyl)cyclopentyl]methanol
CID 59479700

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-3-ethylcyclopentane?
The IUPAC name of 1-(2,2-dimethylbutyl)-3-ethylcyclopentane (CID 91360585) is 1-(2,2-dimethylbutyl)-3-ethylcyclopentane.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3-ethylcyclopentane?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3-ethylcyclopentane is CCC1CCC(CC(C)(C)CC)C1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3-ethylcyclopentane?
The InChIKey is ULPBHYITUFYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-11-7-8-12(9-11)10-13(3,4)6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutyl)-3-ethylcyclopentane?
1-(2,2-dimethylbutyl)-3-ethylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3-ethylcyclopentane is sourced from PubChem (CID 91360585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).