methyl 3-prop-2-enoyloxypropanoate

C7H10O4 — CID 14496497

IUPACmethyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC
InChIInChI=1S/C7H10O4/c1-3-6(8)11-5-4-7(9)10-2/h3H,1,4-5H2,2H3
InChIKeyHSTRMLNFORCAMM-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.28
Rot. Bonds4

About methyl 3-prop-2-enoyloxypropanoate

methyl 3-prop-2-enoyloxypropanoate (PubChem CID 14496497) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is methyl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-prop-2-enoyloxypropanoate
PubChem CID14496497
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Namemethyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC
InChIInChI=1S/C7H10O4/c1-3-6(8)11-5-4-7(9)10-2/h3H,1,4-5H2,2H3
InChIKeyHSTRMLNFORCAMM-UHFFFAOYSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
CID 141139958
azane;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803065
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803239
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
3-prop-2-enoyloxypropanoate;zirconium(4+)
CID 172701120
4-methoxybutyl prop-2-enoate
CID 22321356
ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 145223428
2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
CID 91538853
methyl 3-fluoro-6-prop-2-enoyloxyhexanoate
CID 154715261

Frequently Asked Questions

What is the IUPAC name of methyl 3-prop-2-enoyloxypropanoate?
The IUPAC name of methyl 3-prop-2-enoyloxypropanoate (CID 14496497) is methyl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for methyl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for methyl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OC.
What is the InChIKey of methyl 3-prop-2-enoyloxypropanoate?
The InChIKey is HSTRMLNFORCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-6(8)11-5-4-7(9)10-2/h3H,1,4-5H2,2H3.
What are the key properties of methyl 3-prop-2-enoyloxypropanoate?
methyl 3-prop-2-enoyloxypropanoate has a molecular weight of 158.15 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 14496497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).