1,2-diethylbenzene;1,2-diethylcyclohexane;ethane

C28H58 — CID 158142354

IUPAC1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
SMILESCC.CC.CC.CC.CCC1CCCCC1CC.CCc1ccccc1CC
InChIInChI=1S/C10H20.C10H14.4C2H6/c2*1-3-9-7-5-6-8-10(9)4-2;4*1-2/h9-10H,3-8H2,1-2H3;5-8H,3-4H2,1-2H3;4*1-2H3
InChIKeyFUCFFXSHEMBKOI-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.53
Rot. Bonds4

About 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane

1,2-diethylbenzene;1,2-diethylcyclohexane;ethane (PubChem CID 158142354) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane.

Molecular Properties

Compound Name1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
PubChem CID158142354
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
SMILESCC.CC.CC.CC.CCC1CCCCC1CC.CCc1ccccc1CC
InChIInChI=1S/C10H20.C10H14.4C2H6/c2*1-3-9-7-5-6-8-10(9)4-2;4*1-2/h9-10H,3-8H2,1-2H3;5-8H,3-4H2,1-2H3;4*1-2H3
InChIKeyFUCFFXSHEMBKOI-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
CID 63862356
1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,2-diethylcyclopentane;1,3-diethylcyclopentane;1,2-diethylcyclopropane;pentane
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carbonic acid;1,2-diethylcyclohexane
CID 70579518
1,2-diethylbenzene;propanal
CID 174478177
2-(2-ethylcyclohexyl)-1-phenylethanamine
CID 81013913
N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
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Frequently Asked Questions

What is the IUPAC name of 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane?
The IUPAC name of 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane (CID 158142354) is 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane.
What is the SMILES notation for 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane?
The canonical SMILES for 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane is CC.CC.CC.CC.CCC1CCCCC1CC.CCc1ccccc1CC.
What is the InChIKey of 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane?
The InChIKey is FUCFFXSHEMBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.4C2H6/c2*1-3-9-7-5-6-8-10(9)4-2;4*1-2/h9-10H,3-8H2,1-2H3;5-8H,3-4H2,1-2H3;4*1-2H3.
What are the key properties of 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane?
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane has a molecular weight of 394.77 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylbenzene;1,2-diethylcyclohexane;ethane is sourced from PubChem (CID 158142354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).