2,3-dimethoxy-3-prop-2-enoxyprop-1-ene

C8H14O3 — CID 24976335

IUPAC2,3-dimethoxy-3-prop-2-enoxyprop-1-ene
SMILESC=CCOC(OC)C(=C)OC
InChIInChI=1S/C8H14O3/c1-5-6-11-8(10-4)7(2)9-3/h5,8H,1-2,6H2,3-4H3
InChIKeyVKTOAXZYFGYBEM-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.32
Rot. Bonds6

About 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene

2,3-dimethoxy-3-prop-2-enoxyprop-1-ene (PubChem CID 24976335) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2,3-dimethoxy-3-prop-2-enoxyprop-1-ene
PubChem CID24976335
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2,3-dimethoxy-3-prop-2-enoxyprop-1-ene
SMILESC=CCOC(OC)C(=C)OC
InChIInChI=1S/C8H14O3/c1-5-6-11-8(10-4)7(2)9-3/h5,8H,1-2,6H2,3-4H3
InChIKeyVKTOAXZYFGYBEM-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene 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 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene (CID 24976335) is 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene is C=CCOC(OC)C(=C)OC.
What is the InChIKey of 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene?
The InChIKey is VKTOAXZYFGYBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-6-11-8(10-4)7(2)9-3/h5,8H,1-2,6H2,3-4H3.
What are the key properties of 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene?
2,3-dimethoxy-3-prop-2-enoxyprop-1-ene has a molecular weight of 158.20 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 24976335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).