1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane

C14H28O2 — CID 166689512

IUPAC1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane
SMILESCCC(C)COCC1CCC(COC)CC1
InChIInChI=1S/C14H28O2/c1-4-12(2)9-16-11-14-7-5-13(6-8-14)10-15-3/h12-14H,4-11H2,1-3H3
InChIKeyMHESWXROUNKPCQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.50
Rot. Bonds7

About 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane

1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane (PubChem CID 166689512) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane
PubChem CID166689512
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane
SMILESCCC(C)COCC1CCC(COC)CC1
InChIInChI=1S/C14H28O2/c1-4-12(2)9-16-11-14-7-5-13(6-8-14)10-15-3/h12-14H,4-11H2,1-3H3
InChIKeyMHESWXROUNKPCQ-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane (CID 166689512) is 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane is CCC(C)COCC1CCC(COC)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane?
The InChIKey is MHESWXROUNKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-12(2)9-16-11-14-7-5-13(6-8-14)10-15-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane?
1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(2-methylbutoxymethyl)cyclohexane is sourced from PubChem (CID 166689512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).