4-ethyl-1,1,8-trimethylcycloundecane

C16H32 — CID 123611598

IUPAC4-ethyl-1,1,8-trimethylcycloundecane
SMILESCCC1CCCC(C)CCCC(C)(C)CC1
InChIInChI=1S/C16H32/c1-5-15-10-6-8-14(2)9-7-12-16(3,4)13-11-15/h14-15H,5-13H2,1-4H3
InChIKeyORIQMBLXBSIRFF-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.81
Rot. Bonds1

About 4-ethyl-1,1,8-trimethylcycloundecane

4-ethyl-1,1,8-trimethylcycloundecane (PubChem CID 123611598) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 4-ethyl-1,1,8-trimethylcycloundecane.

Molecular Properties

Compound Name4-ethyl-1,1,8-trimethylcycloundecane
PubChem CID123611598
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name4-ethyl-1,1,8-trimethylcycloundecane
SMILESCCC1CCCC(C)CCCC(C)(C)CC1
InChIInChI=1S/C16H32/c1-5-15-10-6-8-14(2)9-7-12-16(3,4)13-11-15/h14-15H,5-13H2,1-4H3
InChIKeyORIQMBLXBSIRFF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-ethyl-4-methylcyclooctane;methane
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1,1,5-trimethylcycloundecane
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4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine
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trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,1,4-trimethylcyclononane
CID 71397842
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
CID 142366405
ethylcyclobutane;methanamine
CID 175532329

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,8-trimethylcycloundecane?
The IUPAC name of 4-ethyl-1,1,8-trimethylcycloundecane (CID 123611598) is 4-ethyl-1,1,8-trimethylcycloundecane.
What is the SMILES notation for 4-ethyl-1,1,8-trimethylcycloundecane?
The canonical SMILES for 4-ethyl-1,1,8-trimethylcycloundecane is CCC1CCCC(C)CCCC(C)(C)CC1.
What is the InChIKey of 4-ethyl-1,1,8-trimethylcycloundecane?
The InChIKey is ORIQMBLXBSIRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-15-10-6-8-14(2)9-7-12-16(3,4)13-11-15/h14-15H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-1,1,8-trimethylcycloundecane?
4-ethyl-1,1,8-trimethylcycloundecane has a molecular weight of 224.43 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,8-trimethylcycloundecane is sourced from PubChem (CID 123611598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).