methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid

C10H16O7 — CID 174742630

IUPACmethanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid
SMILESC=CC(=O)OC(C)C(CC(=O)O)C(=O)O.CO
InChIInChI=1S/C9H12O6.CH4O/c1-3-8(12)15-5(2)6(9(13)14)4-7(10)11;1-2/h3,5-6H,1,4H2,2H3,(H,10,11)(H,13,14);2H,1H3
InChIKeyFIEQRIIZWYPQIF-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.11
Rot. Bonds6

About methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid

methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid (PubChem CID 174742630) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid.

Molecular Properties

Compound Namemethanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid
PubChem CID174742630
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Namemethanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid
SMILESC=CC(=O)OC(C)C(CC(=O)O)C(=O)O.CO
InChIInChI=1S/C9H12O6.CH4O/c1-3-8(12)15-5(2)6(9(13)14)4-7(10)11;1-2/h3,5-6H,1,4H2,2H3,(H,10,11)(H,13,14);2H,1H3
InChIKeyFIEQRIIZWYPQIF-UHFFFAOYSA-N
XLogP-0.11
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-prop-2-enoyloxyprop-2-enyl)butanedioic acid
CID 87111379
2-(3-prop-2-enoyloxybutan-2-yloxy)butanedioic acid
CID 174880075
3-ethenoxybutan-2-yl prop-2-enoate
CID 141368584
4-prop-2-enoyloxypentanoic acid
CID 87568780
butanedioic acid;1-isocyanatopropan-2-yl prop-2-enoate
CID 174749598
2-hydroxybutanedioic acid;methyl prop-2-enoate
CID 174899831
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3-isocyanatopentan-2-yl prop-2-enoate
CID 57103280
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
2-(2-methyl-3-prop-2-enoyloxypropyl)butanedioic acid
CID 175164546
3-prop-2-enoyloxypentadecanoic acid
CID 57233107

Frequently Asked Questions

What is the IUPAC name of methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid?
The IUPAC name of methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid (CID 174742630) is methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid.
What is the SMILES notation for methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid?
The canonical SMILES for methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid is C=CC(=O)OC(C)C(CC(=O)O)C(=O)O.CO.
What is the InChIKey of methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid?
The InChIKey is FIEQRIIZWYPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6.CH4O/c1-3-8(12)15-5(2)6(9(13)14)4-7(10)11;1-2/h3,5-6H,1,4H2,2H3,(H,10,11)(H,13,14);2H,1H3.
What are the key properties of methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid?
methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid has a molecular weight of 248.23 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid is sourced from PubChem (CID 174742630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).