1,4-diethyl-1-methylcyclohexane;ethane

C13H28 — CID 144637328

IUPAC1,4-diethyl-1-methylcyclohexane;ethane
SMILESCC.CCC1CCC(C)(CC)CC1
InChIInChI=1S/C11H22.C2H6/c1-4-10-6-8-11(3,5-2)9-7-10;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyZGFKPLNRSIRRQX-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds2

About 1,4-diethyl-1-methylcyclohexane;ethane

1,4-diethyl-1-methylcyclohexane;ethane (PubChem CID 144637328) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 1,4-diethyl-1-methylcyclohexane;ethane.

Molecular Properties

Compound Name1,4-diethyl-1-methylcyclohexane;ethane
PubChem CID144637328
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name1,4-diethyl-1-methylcyclohexane;ethane
SMILESCC.CCC1CCC(C)(CC)CC1
InChIInChI=1S/C11H22.C2H6/c1-4-10-6-8-11(3,5-2)9-7-10;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyZGFKPLNRSIRRQX-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(4-ethyl-4-methylcyclohexyl)methanamine
CID 143414681
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
[4-ethyl-1-(4-ethyl-4-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 63465619
4-ethyl-4-methylcyclohexane-1-thiol
CID 148627567
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
ethane;ethylcyclopropane
CID 91380076
1,3-diethyl-1-methylcyclobutane
CID 21053928
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-1-methylcyclohexane;ethane?
The IUPAC name of 1,4-diethyl-1-methylcyclohexane;ethane (CID 144637328) is 1,4-diethyl-1-methylcyclohexane;ethane.
What is the SMILES notation for 1,4-diethyl-1-methylcyclohexane;ethane?
The canonical SMILES for 1,4-diethyl-1-methylcyclohexane;ethane is CC.CCC1CCC(C)(CC)CC1.
What is the InChIKey of 1,4-diethyl-1-methylcyclohexane;ethane?
The InChIKey is ZGFKPLNRSIRRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-4-10-6-8-11(3,5-2)9-7-10;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of 1,4-diethyl-1-methylcyclohexane;ethane?
1,4-diethyl-1-methylcyclohexane;ethane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-1-methylcyclohexane;ethane is sourced from PubChem (CID 144637328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).