1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane

C10H20O3 — CID 140638983

IUPAC1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane
SMILESC=COCOCC(C)(C)COCC
InChIInChI=1S/C10H20O3/c1-5-11-7-10(3,4)8-13-9-12-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeySVAQIMQXCGXXAU-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.18
Rot. Bonds8

About 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane

1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane (PubChem CID 140638983) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane
PubChem CID140638983
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane
SMILESC=COCOCC(C)(C)COCC
InChIInChI=1S/C10H20O3/c1-5-11-7-10(3,4)8-13-9-12-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeySVAQIMQXCGXXAU-UHFFFAOYSA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane 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-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane?
The IUPAC name of 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane (CID 140638983) is 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane?
The canonical SMILES for 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane is C=COCOCC(C)(C)COCC.
What is the InChIKey of 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane?
The InChIKey is SVAQIMQXCGXXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-11-7-10(3,4)8-13-9-12-6-2/h6H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane?
1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane has a molecular weight of 188.27 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethoxy)-3-ethoxy-2,2-dimethylpropane is sourced from PubChem (CID 140638983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).