butane;1-ethyl-2,3-dimethylcyclopentane

C13H28 — CID 144921835

IUPACbutane;1-ethyl-2,3-dimethylcyclopentane
SMILESCCC1CCC(C)C1C.CCCC
InChIInChI=1S/C9H18.C4H10/c1-4-9-6-5-7(2)8(9)3;1-3-4-2/h7-9H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyOJVGGLHVYDCLIK-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds2

About butane;1-ethyl-2,3-dimethylcyclopentane

butane;1-ethyl-2,3-dimethylcyclopentane (PubChem CID 144921835) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is butane;1-ethyl-2,3-dimethylcyclopentane.

Molecular Properties

Compound Namebutane;1-ethyl-2,3-dimethylcyclopentane
PubChem CID144921835
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Namebutane;1-ethyl-2,3-dimethylcyclopentane
SMILESCCC1CCC(C)C1C.CCCC
InChIInChI=1S/C9H18.C4H10/c1-4-9-6-5-7(2)8(9)3;1-3-4-2/h7-9H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyOJVGGLHVYDCLIK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
1,3-diethyl-2-methylcyclopentane
CID 123589151
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
CID 59755188
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
ethane;2-ethyl-5-methylcyclopentan-1-amine
CID 176686280

Frequently Asked Questions

What is the IUPAC name of butane;1-ethyl-2,3-dimethylcyclopentane?
The IUPAC name of butane;1-ethyl-2,3-dimethylcyclopentane (CID 144921835) is butane;1-ethyl-2,3-dimethylcyclopentane.
What is the SMILES notation for butane;1-ethyl-2,3-dimethylcyclopentane?
The canonical SMILES for butane;1-ethyl-2,3-dimethylcyclopentane is CCC1CCC(C)C1C.CCCC.
What is the InChIKey of butane;1-ethyl-2,3-dimethylcyclopentane?
The InChIKey is OJVGGLHVYDCLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C4H10/c1-4-9-6-5-7(2)8(9)3;1-3-4-2/h7-9H,4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;1-ethyl-2,3-dimethylcyclopentane?
butane;1-ethyl-2,3-dimethylcyclopentane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-ethyl-2,3-dimethylcyclopentane is sourced from PubChem (CID 144921835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).