ethane-1,2-diol;propane-1,3-diol;prop-1-ene

C8H20O4 — CID 87614722

IUPACethane-1,2-diol;propane-1,3-diol;prop-1-ene
SMILESC=CC.OCCCO.OCCO
InChIInChI=1S/C3H8O2.C3H6.C2H6O2/c4-2-1-3-5;1-3-2;3-1-2-4/h4-5H,1-3H2;3H,1H2,2H3;3-4H,1-2H2
InChIKeyDACUANFIZQHLGL-UHFFFAOYSA-N
MW180.24 g/mol
LogP-0.48
Rot. Bonds3

About ethane-1,2-diol;propane-1,3-diol;prop-1-ene

ethane-1,2-diol;propane-1,3-diol;prop-1-ene (PubChem CID 87614722) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is ethane-1,2-diol;propane-1,3-diol;prop-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;propane-1,3-diol;prop-1-ene
PubChem CID87614722
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Nameethane-1,2-diol;propane-1,3-diol;prop-1-ene
SMILESC=CC.OCCCO.OCCO
InChIInChI=1S/C3H8O2.C3H6.C2H6O2/c4-2-1-3-5;1-3-2;3-1-2-4/h4-5H,1-3H2;3H,1H2,2H3;3-4H,1-2H2
InChIKeyDACUANFIZQHLGL-UHFFFAOYSA-N
XLogP-0.48
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;propane-1,3-diol;prop-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 ethane-1,2-diol;propane-1,3-diol;prop-1-ene?
The IUPAC name of ethane-1,2-diol;propane-1,3-diol;prop-1-ene (CID 87614722) is ethane-1,2-diol;propane-1,3-diol;prop-1-ene.
What is the SMILES notation for ethane-1,2-diol;propane-1,3-diol;prop-1-ene?
The canonical SMILES for ethane-1,2-diol;propane-1,3-diol;prop-1-ene is C=CC.OCCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;propane-1,3-diol;prop-1-ene?
The InChIKey is DACUANFIZQHLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H6.C2H6O2/c4-2-1-3-5;1-3-2;3-1-2-4/h4-5H,1-3H2;3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;propane-1,3-diol;prop-1-ene?
ethane-1,2-diol;propane-1,3-diol;prop-1-ene has a molecular weight of 180.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;propane-1,3-diol;prop-1-ene is sourced from PubChem (CID 87614722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).