4,4-dimethoxy-3-prop-2-enoxyoxane

C10H18O4 — CID 58654149

IUPAC4,4-dimethoxy-3-prop-2-enoxyoxane
SMILESC=CCOC1COCCC1(OC)OC
InChIInChI=1S/C10H18O4/c1-4-6-14-9-8-13-7-5-10(9,11-2)12-3/h4,9H,1,5-8H2,2-3H3
InChIKeyILAJAEIPUKPHIZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.97
Rot. Bonds5

About 4,4-dimethoxy-3-prop-2-enoxyoxane

4,4-dimethoxy-3-prop-2-enoxyoxane (PubChem CID 58654149) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4,4-dimethoxy-3-prop-2-enoxyoxane.

Molecular Properties

Compound Name4,4-dimethoxy-3-prop-2-enoxyoxane
PubChem CID58654149
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4,4-dimethoxy-3-prop-2-enoxyoxane
SMILESC=CCOC1COCCC1(OC)OC
InChIInChI=1S/C10H18O4/c1-4-6-14-9-8-13-7-5-10(9,11-2)12-3/h4,9H,1,5-8H2,2-3H3
InChIKeyILAJAEIPUKPHIZ-UHFFFAOYSA-N
XLogP0.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4-dimethoxy-3-prop-2-enoxyoxane 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 4,4-dimethoxy-3-prop-2-enoxyoxane?
The IUPAC name of 4,4-dimethoxy-3-prop-2-enoxyoxane (CID 58654149) is 4,4-dimethoxy-3-prop-2-enoxyoxane.
What is the SMILES notation for 4,4-dimethoxy-3-prop-2-enoxyoxane?
The canonical SMILES for 4,4-dimethoxy-3-prop-2-enoxyoxane is C=CCOC1COCCC1(OC)OC.
What is the InChIKey of 4,4-dimethoxy-3-prop-2-enoxyoxane?
The InChIKey is ILAJAEIPUKPHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-6-14-9-8-13-7-5-10(9,11-2)12-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 4,4-dimethoxy-3-prop-2-enoxyoxane?
4,4-dimethoxy-3-prop-2-enoxyoxane has a molecular weight of 202.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-3-prop-2-enoxyoxane is sourced from PubChem (CID 58654149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).