bis(ethane-1,2-diol);prop-1-ene

C7H18O4 — CID 22123481

IUPACbis(ethane-1,2-diol);prop-1-ene
SMILESC=CC.OCCO.OCCO
InChIInChI=1S/C3H6.2C2H6O2/c1-3-2;2*3-1-2-4/h3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyYVGLRQUVDAMKLO-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.87
Rot. Bonds2

About bis(ethane-1,2-diol);prop-1-ene

bis(ethane-1,2-diol);prop-1-ene (PubChem CID 22123481) has the molecular formula C7H18O4 and a molecular weight of 166.22 g/mol. Its IUPAC name is bis(ethane-1,2-diol);prop-1-ene.

Molecular Properties

Compound Namebis(ethane-1,2-diol);prop-1-ene
PubChem CID22123481
Molecular FormulaC7H18O4
Molecular Weight166.22 g/mol
Exact Mass166.12
IUPAC Namebis(ethane-1,2-diol);prop-1-ene
SMILESC=CC.OCCO.OCCO
InChIInChI=1S/C3H6.2C2H6O2/c1-3-2;2*3-1-2-4/h3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyYVGLRQUVDAMKLO-UHFFFAOYSA-N
XLogP-0.87
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(ethane-1,2-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

Related Compounds

Ethane-1,2-diol;prop-1-ene
CID 18769607
Bis(ethane-1,2-diol);bis(prop-1-ene)
CID 18798118
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;bis(prop-1-ene)
CID 20339838
But-1-ene;ethane-1,2-diol
CID 21263576
Bis(ethane-1,2-diol);tris(prop-1-ene)
CID 21518942
Ethane-1,2-diol;ethenoxyethene;bis(prop-1-ene)
CID 21960781
Heptakis(ethane-1,2-diol);tris(prop-1-ene)
CID 57455238
Cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)
CID 67820702
Cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)
CID 67882605
Cyclobutane;ethane-1,2-diol;prop-1-ene
CID 69601329
Ethane-1,2-diol;bis(prop-1-ene)
CID 87058044
2-Methoxyethanol;prop-1-ene
CID 87058049

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);prop-1-ene?
The IUPAC name of bis(ethane-1,2-diol);prop-1-ene (CID 22123481) is bis(ethane-1,2-diol);prop-1-ene.
What is the SMILES notation for bis(ethane-1,2-diol);prop-1-ene?
The canonical SMILES for bis(ethane-1,2-diol);prop-1-ene is C=CC.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);prop-1-ene?
The InChIKey is YVGLRQUVDAMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.2C2H6O2/c1-3-2;2*3-1-2-4/h3H,1H2,2H3;2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);prop-1-ene?
bis(ethane-1,2-diol);prop-1-ene has a molecular weight of 166.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);prop-1-ene is sourced from PubChem (CID 22123481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).