2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane

C18H34 — CID 123341709

IUPAC2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
SMILESCCC1CCCC(CC)C1C1C(C)CCCC1C
InChIInChI=1S/C18H34/c1-5-15-11-8-12-16(6-2)18(15)17-13(3)9-7-10-14(17)4/h13-18H,5-12H2,1-4H3
InChIKeyBGEFTCFRAJQDPE-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds3

About 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane

2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane (PubChem CID 123341709) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
PubChem CID123341709
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
SMILESCCC1CCCC(CC)C1C1C(C)CCCC1C
InChIInChI=1S/C18H34/c1-5-15-11-8-12-16(6-2)18(15)17-13(3)9-7-10-14(17)4/h13-18H,5-12H2,1-4H3
InChIKeyBGEFTCFRAJQDPE-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
1,3,6-triethyl-2-methylcyclononane
CID 58552764
methyl 2-(2-ethyl-6-methylcyclohexyl)-3-propylcyclohexane-1-carboxylate
CID 77431526
CID 160611346
CID 160611346

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane?
The IUPAC name of 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane (CID 123341709) is 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane.
What is the SMILES notation for 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane?
The canonical SMILES for 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane is CCC1CCCC(CC)C1C1C(C)CCCC1C.
What is the InChIKey of 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane?
The InChIKey is BGEFTCFRAJQDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-5-15-11-8-12-16(6-2)18(15)17-13(3)9-7-10-14(17)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane?
2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane is sourced from PubChem (CID 123341709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).