CID 101066493

C4H5O2 — CID 101066493

IUPAC—
SMILESC=C=C([O])OC
InChIInChI=1S/C4H5O2/c1-3-4(5)6-2/h1H2,2H3
InChIKeyQTHAMCZUTOVWEN-UHFFFAOYSA-N
MW85.08 g/mol
LogP0.69
Rot. Bonds1

About CID 101066493

CID 101066493 (PubChem CID 101066493) has the molecular formula C4H5O2 and a molecular weight of 85.08 g/mol.

Molecular Properties

Compound NameCID 101066493
PubChem CID101066493
Molecular FormulaC4H5O2
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name—
SMILESC=C=C([O])OC
InChIInChI=1S/C4H5O2/c1-3-4(5)6-2/h1H2,2H3
InChIKeyQTHAMCZUTOVWEN-UHFFFAOYSA-N
XLogP0.69
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxyethenolate
CID 16733725
1-Methoxyethenolate
CID 17775377
lithium (Z)-1-methoxyprop-1-en-1-olate
CID 23667476
CID 59601808
CID 59601808
Lithium 1-(methoxymethoxy)propa-1,2-diene
CID 11116004
CID 134866855
CID 134866855
sodium (E)-1-methoxyprop-1-en-1-olate
CID 134907816
sodium (Z)-1-methoxyprop-1-en-1-olate
CID 134975586
Gyahriufhxapmu-uhfffaoysa-
CID 21671071
(Z)-1-methoxyprop-1-en-1-olate
CID 21343834
1-Methoxyprop-1-en-1-olate
CID 73782179
1,1,3-Trimethoxypropa-1,2-diene
CID 141032313

Frequently Asked Questions

What is the IUPAC name of CID 101066493?
The IUPAC name of CID 101066493 (CID 101066493) is not available.
What is the SMILES notation for CID 101066493?
The canonical SMILES for CID 101066493 is C=C=C([O])OC.
What is the InChIKey of CID 101066493?
The InChIKey is QTHAMCZUTOVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O2/c1-3-4(5)6-2/h1H2,2H3.
What are the key properties of CID 101066493?
CID 101066493 has a molecular weight of 85.08 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101066493 is sourced from PubChem (CID 101066493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).