2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane

C16H30 — CID 174725274

IUPAC2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane
SMILESCCC1(C2CC(C)CCC2C)CCCCC1
InChIInChI=1S/C16H30/c1-4-16(10-6-5-7-11-16)15-12-13(2)8-9-14(15)3/h13-15H,4-12H2,1-3H3
InChIKeyKVFNFLVNXRNVAT-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds2

About 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane

2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane (PubChem CID 174725274) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane
PubChem CID174725274
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane
SMILESCCC1(C2CC(C)CCC2C)CCCCC1
InChIInChI=1S/C16H30/c1-4-16(10-6-5-7-11-16)15-12-13(2)8-9-14(15)3/h13-15H,4-12H2,1-3H3
InChIKeyKVFNFLVNXRNVAT-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 173085788
5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane
CID 143723529
1-ethyl-1-(4-propylcyclohexyl)cyclohexane
CID 57009275
2-(1-ethylcyclohexyl)oxirane
CID 123342975
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
(3R,4aR,8aS)-3-methylspiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,1'-cyclohexane]
CID 58376158
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
7-butyl-1-ethylbicyclo[4.2.0]octane
CID 123810083
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane?
The IUPAC name of 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane (CID 174725274) is 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane.
What is the SMILES notation for 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane?
The canonical SMILES for 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane is CCC1(C2CC(C)CCC2C)CCCCC1.
What is the InChIKey of 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane?
The InChIKey is KVFNFLVNXRNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-16(10-6-5-7-11-16)15-12-13(2)8-9-14(15)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane?
2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane is sourced from PubChem (CID 174725274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).