3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid

C15H24O7 — CID 161474315

IUPAC3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCO.C=CC(=O)O
InChIInChI=1S/C7H12O3.C5H8O2.C3H4O2/c1-6(2)7(9)10-5-3-4-8;1-4(2)5(6)7-3;1-2-3(4)5/h8H,1,3-5H2,2H3;1H2,2-3H3;2H,1H2,(H,4,5)
InChIKeyWDMXYMTXNCBAMB-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.48
Rot. Bonds6

About 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid

3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid (PubChem CID 161474315) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
PubChem CID161474315
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCO.C=CC(=O)O
InChIInChI=1S/C7H12O3.C5H8O2.C3H4O2/c1-6(2)7(9)10-5-3-4-8;1-4(2)5(6)7-3;1-2-3(4)5/h8H,1,3-5H2,2H3;1H2,2-3H3;2H,1H2,(H,4,5)
InChIKeyWDMXYMTXNCBAMB-UHFFFAOYSA-N
XLogP1.48
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 86583983
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 158298402
4-(3-hydroxypropoxycarbonyl)-2-methylpenta-2,4-dienoic acid;methyl 2-methylprop-2-enoate
CID 88625821
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-(butylamino)ethyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid
CID 158944800
buta-1,3-diene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 121332885
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
2-(butylamino)ethyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enamide;prop-2-enoic acid
CID 173164915
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate
CID 156579745

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid (CID 161474315) is 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid is C=C(C)C(=O)OC.C=C(C)C(=O)OCCCO.C=CC(=O)O.
What is the InChIKey of 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid?
The InChIKey is WDMXYMTXNCBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C5H8O2.C3H4O2/c1-6(2)7(9)10-5-3-4-8;1-4(2)5(6)7-3;1-2-3(4)5/h8H,1,3-5H2,2H3;1H2,2-3H3;2H,1H2,(H,4,5).
What are the key properties of 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid?
3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid has a molecular weight of 316.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 161474315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).