1,1,2,3-tetrapropoxyprop-1-ene

C15H30O4 — CID 175459954

IUPAC1,1,2,3-tetrapropoxyprop-1-ene
SMILESCCCOCC(OCCC)=C(OCCC)OCCC
InChIInChI=1S/C15H30O4/c1-5-9-16-13-14(17-10-6-2)15(18-11-7-3)19-12-8-4/h5-13H2,1-4H3
InChIKeyLQSULNLIXUKVIZ-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.86
Rot. Bonds13

About 1,1,2,3-tetrapropoxyprop-1-ene

1,1,2,3-tetrapropoxyprop-1-ene (PubChem CID 175459954) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1,1,2,3-tetrapropoxyprop-1-ene.

Molecular Properties

Compound Name1,1,2,3-tetrapropoxyprop-1-ene
PubChem CID175459954
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name1,1,2,3-tetrapropoxyprop-1-ene
SMILESCCCOCC(OCCC)=C(OCCC)OCCC
InChIInChI=1S/C15H30O4/c1-5-9-16-13-14(17-10-6-2)15(18-11-7-3)19-12-8-4/h5-13H2,1-4H3
InChIKeyLQSULNLIXUKVIZ-UHFFFAOYSA-N
XLogP3.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,3-tetrapropoxyprop-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 1,1,2,3-tetrapropoxyprop-1-ene?
The IUPAC name of 1,1,2,3-tetrapropoxyprop-1-ene (CID 175459954) is 1,1,2,3-tetrapropoxyprop-1-ene.
What is the SMILES notation for 1,1,2,3-tetrapropoxyprop-1-ene?
The canonical SMILES for 1,1,2,3-tetrapropoxyprop-1-ene is CCCOCC(OCCC)=C(OCCC)OCCC.
What is the InChIKey of 1,1,2,3-tetrapropoxyprop-1-ene?
The InChIKey is LQSULNLIXUKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-9-16-13-14(17-10-6-2)15(18-11-7-3)19-12-8-4/h5-13H2,1-4H3.
What are the key properties of 1,1,2,3-tetrapropoxyprop-1-ene?
1,1,2,3-tetrapropoxyprop-1-ene has a molecular weight of 274.40 g/mol, XLogP of 3.86, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrapropoxyprop-1-ene is sourced from PubChem (CID 175459954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).