[methoxy(propoxy)methyl]cyclohexane

C11H22O2 — CID 121368849

IUPAC[methoxy(propoxy)methyl]cyclohexane
SMILESCCCOC(OC)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeySBRMFHJUNACWEI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds5

About [methoxy(propoxy)methyl]cyclohexane

[methoxy(propoxy)methyl]cyclohexane (PubChem CID 121368849) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is [methoxy(propoxy)methyl]cyclohexane.

Molecular Properties

Compound Name[methoxy(propoxy)methyl]cyclohexane
PubChem CID121368849
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name[methoxy(propoxy)methyl]cyclohexane
SMILESCCCOC(OC)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeySBRMFHJUNACWEI-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [methoxy(propoxy)methyl]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 [methoxy(propoxy)methyl]cyclohexane?
The IUPAC name of [methoxy(propoxy)methyl]cyclohexane (CID 121368849) is [methoxy(propoxy)methyl]cyclohexane.
What is the SMILES notation for [methoxy(propoxy)methyl]cyclohexane?
The canonical SMILES for [methoxy(propoxy)methyl]cyclohexane is CCCOC(OC)C1CCCCC1.
What is the InChIKey of [methoxy(propoxy)methyl]cyclohexane?
The InChIKey is SBRMFHJUNACWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of [methoxy(propoxy)methyl]cyclohexane?
[methoxy(propoxy)methyl]cyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(propoxy)methyl]cyclohexane is sourced from PubChem (CID 121368849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).