1-(3,7-dimethyloctyl)-1-ethylcyclohexane

C18H36 — CID 123815514

IUPAC1-(3,7-dimethyloctyl)-1-ethylcyclohexane
SMILESCCC1(CCC(C)CCCC(C)C)CCCCC1
InChIInChI=1S/C18H36/c1-5-18(13-7-6-8-14-18)15-12-17(4)11-9-10-16(2)3/h16-17H,5-15H2,1-4H3
InChIKeyOMHILNNURJLLEQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.59
Rot. Bonds8

About 1-(3,7-dimethyloctyl)-1-ethylcyclohexane

1-(3,7-dimethyloctyl)-1-ethylcyclohexane (PubChem CID 123815514) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-(3,7-dimethyloctyl)-1-ethylcyclohexane.

Molecular Properties

Compound Name1-(3,7-dimethyloctyl)-1-ethylcyclohexane
PubChem CID123815514
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-(3,7-dimethyloctyl)-1-ethylcyclohexane
SMILESCCC1(CCC(C)CCCC(C)C)CCCCC1
InChIInChI=1S/C18H36/c1-5-18(13-7-6-8-14-18)15-12-17(4)11-9-10-16(2)3/h16-17H,5-15H2,1-4H3
InChIKeyOMHILNNURJLLEQ-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(1-ethylcyclobutyl)butan-2-ol
CID 130601505
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041
1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane
CID 174904279
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
CID 66034231
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,5,9,13-tetramethyltetradecane
CID 58292409
1,1-diethylcyclohexane;ethane
CID 142116480
2-(1-ethylcycloheptyl)ethanol
CID 164557788
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
2,6,10,15,19-pentamethylhenicosane
CID 6428617

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctyl)-1-ethylcyclohexane?
The IUPAC name of 1-(3,7-dimethyloctyl)-1-ethylcyclohexane (CID 123815514) is 1-(3,7-dimethyloctyl)-1-ethylcyclohexane.
What is the SMILES notation for 1-(3,7-dimethyloctyl)-1-ethylcyclohexane?
The canonical SMILES for 1-(3,7-dimethyloctyl)-1-ethylcyclohexane is CCC1(CCC(C)CCCC(C)C)CCCCC1.
What is the InChIKey of 1-(3,7-dimethyloctyl)-1-ethylcyclohexane?
The InChIKey is OMHILNNURJLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-18(13-7-6-8-14-18)15-12-17(4)11-9-10-16(2)3/h16-17H,5-15H2,1-4H3.
What are the key properties of 1-(3,7-dimethyloctyl)-1-ethylcyclohexane?
1-(3,7-dimethyloctyl)-1-ethylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctyl)-1-ethylcyclohexane is sourced from PubChem (CID 123815514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).