methanol;prop-2-enoic acid

C5H12O4 — CID 159043362

IUPACmethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CO.CO
InChIInChI=1S/C3H4O2.2CH4O/c1-2-3(4)5;2*1-2/h2H,1H2,(H,4,5);2*2H,1H3
InChIKeyJWIUUJBKZANVSK-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.53
Rot. Bonds1

About methanol;prop-2-enoic acid

methanol;prop-2-enoic acid (PubChem CID 159043362) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is methanol;prop-2-enoic acid.

Molecular Properties

Compound Namemethanol;prop-2-enoic acid
PubChem CID159043362
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Namemethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CO.CO
InChIInChI=1S/C3H4O2.2CH4O/c1-2-3(4)5;2*1-2/h2H,1H2,(H,4,5);2*2H,1H3
InChIKeyJWIUUJBKZANVSK-UHFFFAOYSA-N
XLogP-0.53
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804
Acrylic acid potassium salt
CID 87124626
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
prop-2-enoic acid;pentahydrobromide
CID 172798031

Frequently Asked Questions

What is the IUPAC name of methanol;prop-2-enoic acid?
The IUPAC name of methanol;prop-2-enoic acid (CID 159043362) is methanol;prop-2-enoic acid.
What is the SMILES notation for methanol;prop-2-enoic acid?
The canonical SMILES for methanol;prop-2-enoic acid is C=CC(=O)O.CO.CO.
What is the InChIKey of methanol;prop-2-enoic acid?
The InChIKey is JWIUUJBKZANVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.2CH4O/c1-2-3(4)5;2*1-2/h2H,1H2,(H,4,5);2*2H,1H3.
What are the key properties of methanol;prop-2-enoic acid?
methanol;prop-2-enoic acid has a molecular weight of 136.15 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;prop-2-enoic acid is sourced from PubChem (CID 159043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).