4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane

C13H26O — CID 58609217

IUPAC4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane
SMILESCCC1C(C)CC(COC)C(C)C1C
InChIInChI=1S/C13H26O/c1-6-13-9(2)7-12(8-14-5)10(3)11(13)4/h9-13H,6-8H2,1-5H3
InChIKeyWDQUIGFWMOHASA-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.59
Rot. Bonds3

About 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane

4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane (PubChem CID 58609217) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane
PubChem CID58609217
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane
SMILESCCC1C(C)CC(COC)C(C)C1C
InChIInChI=1S/C13H26O/c1-6-13-9(2)7-12(8-14-5)10(3)11(13)4/h9-13H,6-8H2,1-5H3
InChIKeyWDQUIGFWMOHASA-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane?
The IUPAC name of 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane (CID 58609217) is 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane.
What is the SMILES notation for 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane?
The canonical SMILES for 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane is CCC1C(C)CC(COC)C(C)C1C.
What is the InChIKey of 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane?
The InChIKey is WDQUIGFWMOHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-13-9(2)7-12(8-14-5)10(3)11(13)4/h9-13H,6-8H2,1-5H3.
What are the key properties of 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane?
4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane has a molecular weight of 198.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(methoxymethyl)-2,3,5-trimethylcyclohexane is sourced from PubChem (CID 58609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).