1-(2-methoxyethoxy)-4-methylcyclohexane

C10H20O2 — CID 23381124

IUPAC1-(2-methoxyethoxy)-4-methylcyclohexane
SMILESCOCCOC1CCC(C)CC1
InChIInChI=1S/C10H20O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h9-10H,3-8H2,1-2H3
InChIKeyXOGJZSRFDPATQR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-methoxyethoxy)-4-methylcyclohexane

1-(2-methoxyethoxy)-4-methylcyclohexane (PubChem CID 23381124) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylcyclohexane
PubChem CID23381124
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(2-methoxyethoxy)-4-methylcyclohexane
SMILESCOCCOC1CCC(C)CC1
InChIInChI=1S/C10H20O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h9-10H,3-8H2,1-2H3
InChIKeyXOGJZSRFDPATQR-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethoxy)-4-methylcyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

2-Ethylhexyl glycidyl ether
CID 17162
1-Methoxy-4-methylcyclohexane
CID 6336264
1,2-Dimethoxyethylcyclohexane
CID 23183239
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
2-Ethylenedioxy-5-methylheptane
CID 129811787
2-[(Cyclohexylmethoxy)methyl]oxirane
CID 11435189
1-Methyl-4-(4-methylcyclohexyl)oxycyclohexane
CID 23565647
1-Methoxy-4-methyl-d3-benzene
CID 139701
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980
1-(2-Fluoroethyl)-4-propoxycyclohexane
CID 18343982
1-Ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
2,3-Difluoro-1-methyl-4-pentoxycyclohexane
CID 71099915

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-methylcyclohexane?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylcyclohexane (CID 23381124) is 1-(2-methoxyethoxy)-4-methylcyclohexane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylcyclohexane?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylcyclohexane is COCCOC1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylcyclohexane?
The InChIKey is XOGJZSRFDPATQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylcyclohexane?
1-(2-methoxyethoxy)-4-methylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-methylcyclohexane is sourced from PubChem (CID 23381124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).