1,2-diethylbenzene;1,4-dimethylcyclohexane

C18H30 — CID 142228373

IUPAC1,2-diethylbenzene;1,4-dimethylcyclohexane
SMILESCC1CCC(C)CC1.CCc1ccccc1CC
InChIInChI=1S/C10H14.C8H16/c1-3-9-7-5-6-8-10(9)4-2;1-7-3-5-8(2)6-4-7/h5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyLCCTYLLCYAWXSX-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.64
Rot. Bonds2

About 1,2-diethylbenzene;1,4-dimethylcyclohexane

1,2-diethylbenzene;1,4-dimethylcyclohexane (PubChem CID 142228373) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2-diethylbenzene;1,4-dimethylcyclohexane.

Molecular Properties

Compound Name1,2-diethylbenzene;1,4-dimethylcyclohexane
PubChem CID142228373
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2-diethylbenzene;1,4-dimethylcyclohexane
SMILESCC1CCC(C)CC1.CCc1ccccc1CC
InChIInChI=1S/C10H14.C8H16/c1-3-9-7-5-6-8-10(9)4-2;1-7-3-5-8(2)6-4-7/h5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyLCCTYLLCYAWXSX-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethylnaphthalene;methylcyclopropane
CID 142069670
1,2-diethylbenzene;hydrobromide
CID 174973685
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354
ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane
CID 143093806
N'-(2-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 4297692
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1,2-diethylbenzene;silyloxysilane
CID 158803052
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 64682184
1,2-diethylbenzene;propanal
CID 174478177
1-(chloromethyl)-2-ethylbenzene
CID 524243

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylbenzene;1,4-dimethylcyclohexane?
The IUPAC name of 1,2-diethylbenzene;1,4-dimethylcyclohexane (CID 142228373) is 1,2-diethylbenzene;1,4-dimethylcyclohexane.
What is the SMILES notation for 1,2-diethylbenzene;1,4-dimethylcyclohexane?
The canonical SMILES for 1,2-diethylbenzene;1,4-dimethylcyclohexane is CC1CCC(C)CC1.CCc1ccccc1CC.
What is the InChIKey of 1,2-diethylbenzene;1,4-dimethylcyclohexane?
The InChIKey is LCCTYLLCYAWXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H16/c1-3-9-7-5-6-8-10(9)4-2;1-7-3-5-8(2)6-4-7/h5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1,2-diethylbenzene;1,4-dimethylcyclohexane?
1,2-diethylbenzene;1,4-dimethylcyclohexane has a molecular weight of 246.44 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylbenzene;1,4-dimethylcyclohexane is sourced from PubChem (CID 142228373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).