1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane

C17H28O4 — CID 57159142

IUPAC1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane
SMILESCC=COCC(COC=CC)(COC=CC)COC=CC
InChIInChI=1S/C17H28O4/c1-5-9-18-13-17(14-19-10-6-2,15-20-11-7-3)16-21-12-8-4/h5-12H,13-16H2,1-4H3
InChIKeyMQKAFVDBLOUCRC-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.17
Rot. Bonds12

About 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane

1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane (PubChem CID 57159142) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane.

Molecular Properties

Compound Name1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane
PubChem CID57159142
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane
SMILESCC=COCC(COC=CC)(COC=CC)COC=CC
InChIInChI=1S/C17H28O4/c1-5-9-18-13-17(14-19-10-6-2,15-20-11-7-3)16-21-12-8-4/h5-12H,13-16H2,1-4H3
InChIKeyMQKAFVDBLOUCRC-UHFFFAOYSA-N
XLogP4.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)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 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane?
The IUPAC name of 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane (CID 57159142) is 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane.
What is the SMILES notation for 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane?
The canonical SMILES for 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane is CC=COCC(COC=CC)(COC=CC)COC=CC.
What is the InChIKey of 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane?
The InChIKey is MQKAFVDBLOUCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-5-9-18-13-17(14-19-10-6-2,15-20-11-7-3)16-21-12-8-4/h5-12H,13-16H2,1-4H3.
What are the key properties of 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane?
1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane has a molecular weight of 296.41 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane is sourced from PubChem (CID 57159142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).