1-ethyl-4-methylcyclohexane

C9H18 — CID 19503

IUPAC1-ethyl-4-methylcyclohexane
SMILESCCC1CCC(C)CC1
InChIInChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyCYISMTMRBPPERU-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds1

About 1-ethyl-4-methylcyclohexane

1-ethyl-4-methylcyclohexane (PubChem CID 19503) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-ethyl-4-methylcyclohexane.

Molecular Properties

Compound Name1-ethyl-4-methylcyclohexane
PubChem CID19503
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-ethyl-4-methylcyclohexane
SMILESCCC1CCC(C)CC1
InChIInChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyCYISMTMRBPPERU-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Butylcyclohexane
CID 15506
1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
Pentylcyclohexane
CID 20284
1,3-Dimethylcyclohexane
CID 11564
Propylcyclohexane
CID 15505
3-Methyldecane
CID 92239
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
3,6-Dimethyloctane
CID 85927
3-Methylnonane
CID 22202

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylcyclohexane?
The IUPAC name of 1-ethyl-4-methylcyclohexane (CID 19503) is 1-ethyl-4-methylcyclohexane.
What is the SMILES notation for 1-ethyl-4-methylcyclohexane?
The canonical SMILES for 1-ethyl-4-methylcyclohexane is CCC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-4-methylcyclohexane?
The InChIKey is CYISMTMRBPPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methylcyclohexane?
1-ethyl-4-methylcyclohexane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylcyclohexane is sourced from PubChem (CID 19503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).