1-ethyl-1,2,5-trimethylcyclohexane

C11H22 — CID 123642131

IUPAC1-ethyl-1,2,5-trimethylcyclohexane
SMILESCCC1(C)CC(C)CCC1C
InChIInChI=1S/C11H22/c1-5-11(4)8-9(2)6-7-10(11)3/h9-10H,5-8H2,1-4H3
InChIKeyYHXZHKLOPNPLNV-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds1

About 1-ethyl-1,2,5-trimethylcyclohexane

1-ethyl-1,2,5-trimethylcyclohexane (PubChem CID 123642131) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-ethyl-1,2,5-trimethylcyclohexane.

Molecular Properties

Compound Name1-ethyl-1,2,5-trimethylcyclohexane
PubChem CID123642131
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-ethyl-1,2,5-trimethylcyclohexane
SMILESCCC1(C)CC(C)CCC1C
InChIInChI=1S/C11H22/c1-5-11(4)8-9(2)6-7-10(11)3/h9-10H,5-8H2,1-4H3
InChIKeyYHXZHKLOPNPLNV-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pinane
CID 10129
1-Methyl-4-isopropylcyclohexane
CID 7459
Pinane, cis-(+)-
CID 10953595
1,2,4-Trimethylcyclohexane
CID 91517
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
1,2,3-Trimethylcyclohexane
CID 15507
Cyclogeraniolane
CID 18309
1,2,4,5-Tetramethylcyclohexane
CID 92914
cis-1,1,3,5-Tetramethylcyclohexane
CID 6432486
trans-1,1,3,5-Tetramethylcyclohexane
CID 55250338
1,1,3,5-Tetramethylcyclohexane
CID 107263

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,5-trimethylcyclohexane?
The IUPAC name of 1-ethyl-1,2,5-trimethylcyclohexane (CID 123642131) is 1-ethyl-1,2,5-trimethylcyclohexane.
What is the SMILES notation for 1-ethyl-1,2,5-trimethylcyclohexane?
The canonical SMILES for 1-ethyl-1,2,5-trimethylcyclohexane is CCC1(C)CC(C)CCC1C.
What is the InChIKey of 1-ethyl-1,2,5-trimethylcyclohexane?
The InChIKey is YHXZHKLOPNPLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-11(4)8-9(2)6-7-10(11)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-1,2,5-trimethylcyclohexane?
1-ethyl-1,2,5-trimethylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,5-trimethylcyclohexane is sourced from PubChem (CID 123642131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).