prop-1-enoxymethanetriol

C4H8O4 — CID 141049988

IUPACprop-1-enoxymethanetriol
SMILESCC=COC(O)(O)O
InChIInChI=1S/C4H8O4/c1-2-3-8-4(5,6)7/h2-3,5-7H,1H3
InChIKeyODXWAXGDFBRYSG-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.88
Rot. Bonds2

About prop-1-enoxymethanetriol

prop-1-enoxymethanetriol (PubChem CID 141049988) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is prop-1-enoxymethanetriol.

Molecular Properties

Compound Nameprop-1-enoxymethanetriol
PubChem CID141049988
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Nameprop-1-enoxymethanetriol
SMILESCC=COC(O)(O)O
InChIInChI=1S/C4H8O4/c1-2-3-8-4(5,6)7/h2-3,5-7H,1H3
InChIKeyODXWAXGDFBRYSG-UHFFFAOYSA-N
XLogP-0.88
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-prop-1-enoxybutan-2-ol
CID 123962171
2-methyl-2-prop-1-enoxypropanoic acid
CID 141348598
(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
CID 5463433
prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
CID 174796957
3-methyl-3-[(Z)-prop-1-enoxy]butanal
CID 89353016
2-methoxyprop-1-ene;2-methyl-2-prop-1-enoxypropane
CID 155414756
but-2-ene;1-methoxyprop-1-ene
CID 91394801
N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide
CID 163799946
N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine
CID 163799947
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene
CID 173289194
[(E)-prop-1-enoxy]boronic acid
CID 142694195
O-[(Z)-prop-1-enyl] methanethioate
CID 173167979

Frequently Asked Questions

What is the IUPAC name of prop-1-enoxymethanetriol?
The IUPAC name of prop-1-enoxymethanetriol (CID 141049988) is prop-1-enoxymethanetriol.
What is the SMILES notation for prop-1-enoxymethanetriol?
The canonical SMILES for prop-1-enoxymethanetriol is CC=COC(O)(O)O.
What is the InChIKey of prop-1-enoxymethanetriol?
The InChIKey is ODXWAXGDFBRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-2-3-8-4(5,6)7/h2-3,5-7H,1H3.
What are the key properties of prop-1-enoxymethanetriol?
prop-1-enoxymethanetriol has a molecular weight of 120.10 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enoxymethanetriol is sourced from PubChem (CID 141049988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).