1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane

C16H32 — CID 142995371

IUPAC1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
SMILESCCC1CCC(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C16H32/c1-7-13-8-10-14(11-9-13)16(5,6)12-15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyHYCZQYUTQHBOOI-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds3

About 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane

1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane (PubChem CID 142995371) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
PubChem CID142995371
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
SMILESCCC1CCC(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C16H32/c1-7-13-8-10-14(11-9-13)16(5,6)12-15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyHYCZQYUTQHBOOI-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,4-trimethylpentan-2-ylcyclopentane
CID 90828490
3-(4-ethylcyclohexyl)-3-methylbutanoic acid
CID 81004196
4-(4-ethylcyclohexyl)-4-methylpentan-2-amine
CID 64774086
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 81023448
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
2,4,4,5-tetramethylhexan-2-ylcyclopropane
CID 142456754
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
CID 160718193
1-[2-(disulfanyl)propan-2-yl]-4-ethylcyclohexane
CID 170073695
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
The IUPAC name of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane (CID 142995371) is 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane is CCC1CCC(C(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
The InChIKey is HYCZQYUTQHBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-13-8-10-14(11-9-13)16(5,6)12-15(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane is sourced from PubChem (CID 142995371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).