1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane

C19H32O6 — CID 139880171

IUPAC1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane
SMILESC/C=C/OCCC(O/C=C/C)OCOC(CCO/C=C/C)O/C=C/C
InChIInChI=1S/C19H32O6/c1-5-11-20-15-9-18(22-13-7-3)24-17-25-19(23-14-8-4)10-16-21-12-6-2/h5-8,11-14,18-19H,9-10,15-17H2,1-4H3/b11-5+,12-6+,13-7+,14-8+
InChIKeyJKOYAPKLLIRADB-JRXATRHQSA-N
MW356.46 g/mol
LogP4.61
Rot. Bonds16

About 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane

1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane (PubChem CID 139880171) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane.

Molecular Properties

Compound Name1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane
PubChem CID139880171
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane
SMILESC/C=C/OCCC(O/C=C/C)OCOC(CCO/C=C/C)O/C=C/C
InChIInChI=1S/C19H32O6/c1-5-11-20-15-9-18(22-13-7-3)24-17-25-19(23-14-8-4)10-16-21-12-6-2/h5-8,11-14,18-19H,9-10,15-17H2,1-4H3/b11-5+,12-6+,13-7+,14-8+
InChIKeyJKOYAPKLLIRADB-JRXATRHQSA-N
XLogP4.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane 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-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane?
The IUPAC name of 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane (CID 139880171) is 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane.
What is the SMILES notation for 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane?
The canonical SMILES for 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane is C/C=C/OCCC(O/C=C/C)OCOC(CCO/C=C/C)O/C=C/C.
What is the InChIKey of 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane?
The InChIKey is JKOYAPKLLIRADB-JRXATRHQSA-N. The full InChI is InChI=1S/C19H32O6/c1-5-11-20-15-9-18(22-13-7-3)24-17-25-19(23-14-8-4)10-16-21-12-6-2/h5-8,11-14,18-19H,9-10,15-17H2,1-4H3/b11-5+,12-6+,13-7+,14-8+.
What are the key properties of 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane?
1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane has a molecular weight of 356.46 g/mol, XLogP of 4.61, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis[(E)-prop-1-enoxy]propoxymethoxy]-1,3-bis[(E)-prop-1-enoxy]propane is sourced from PubChem (CID 139880171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).