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

C5H12O2 — CID 18769607

IUPACethane-1,2-diol;prop-1-ene
SMILESC=CC.OCCO
InChIInChI=1S/C3H6.C2H6O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;3-4H,1-2H2
InChIKeyPZBXEEXMBBGCML-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.16
Rot. Bonds1

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

ethane-1,2-diol;prop-1-ene (PubChem CID 18769607) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is ethane-1,2-diol;prop-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;prop-1-ene
PubChem CID18769607
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Nameethane-1,2-diol;prop-1-ene
SMILESC=CC.OCCO
InChIInChI=1S/C3H6.C2H6O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;3-4H,1-2H2
InChIKeyPZBXEEXMBBGCML-UHFFFAOYSA-N
XLogP0.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;prop-1-ene?
The IUPAC name of ethane-1,2-diol;prop-1-ene (CID 18769607) is ethane-1,2-diol;prop-1-ene.
What is the SMILES notation for ethane-1,2-diol;prop-1-ene?
The canonical SMILES for ethane-1,2-diol;prop-1-ene is C=CC.OCCO.
What is the InChIKey of ethane-1,2-diol;prop-1-ene?
The InChIKey is PZBXEEXMBBGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H6O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;prop-1-ene?
ethane-1,2-diol;prop-1-ene has a molecular weight of 104.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;prop-1-ene is sourced from PubChem (CID 18769607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).