2-ethenylpropane-1,2,3-triol

C5H10O3 — CID 130123389

IUPAC2-ethenylpropane-1,2,3-triol
SMILESC=CC(O)(CO)CO
InChIInChI=1S/C5H10O3/c1-2-5(8,3-6)4-7/h2,6-8H,1,3-4H2
InChIKeyZBAKYSJWSSHGMG-UHFFFAOYSA-N
MW118.13 g/mol
LogP-1.11
Rot. Bonds3

About 2-ethenylpropane-1,2,3-triol

2-ethenylpropane-1,2,3-triol (PubChem CID 130123389) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-ethenylpropane-1,2,3-triol.

Molecular Properties

Compound Name2-ethenylpropane-1,2,3-triol
PubChem CID130123389
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-ethenylpropane-1,2,3-triol
SMILESC=CC(O)(CO)CO
InChIInChI=1S/C5H10O3/c1-2-5(8,3-6)4-7/h2,6-8H,1,3-4H2
InChIKeyZBAKYSJWSSHGMG-UHFFFAOYSA-N
XLogP-1.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-diethylhex-5-ene-1,2,4-triol
CID 11469527
2-aminobut-3-ene-1,2-diol
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2-ethenyl-2-(hydroxymethyl)propane-1,3-diol
CID 21187086
3-ethenylpent-4-ene-1,3-diol
CID 57295100
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
2,2,3,3-tetrafluoropent-4-en-1-ol
CID 130122672
3-(chloromethyl)hex-1-en-3-ol
CID 55298140
[2-(acetyloxymethyl)-2-hydroxybut-3-enyl] acetate
CID 59238442
ethane-1,1,1,2-tetrol
CID 22259953
1,1-bis(sulfanyl)prop-2-en-1-ol
CID 123602556
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
3-ethylpenta-1,4-dien-3-ol
CID 131852756

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpropane-1,2,3-triol?
The IUPAC name of 2-ethenylpropane-1,2,3-triol (CID 130123389) is 2-ethenylpropane-1,2,3-triol.
What is the SMILES notation for 2-ethenylpropane-1,2,3-triol?
The canonical SMILES for 2-ethenylpropane-1,2,3-triol is C=CC(O)(CO)CO.
What is the InChIKey of 2-ethenylpropane-1,2,3-triol?
The InChIKey is ZBAKYSJWSSHGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-2-5(8,3-6)4-7/h2,6-8H,1,3-4H2.
What are the key properties of 2-ethenylpropane-1,2,3-triol?
2-ethenylpropane-1,2,3-triol has a molecular weight of 118.13 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpropane-1,2,3-triol is sourced from PubChem (CID 130123389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).