4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate

C14H24O6 — CID 87503275

IUPAC4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCCO.C=CC(=O)OCCCO
InChIInChI=1S/C8H14O3.C6H10O3/c1-7(2)8(10)11-6-4-3-5-9;1-2-6(8)9-5-3-4-7/h9H,1,3-6H2,2H3;2,7H,1,3-5H2
InChIKeyRBQCXMXIBILAEK-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.98
Rot. Bonds9

About 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate

4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate (PubChem CID 87503275) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
PubChem CID87503275
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCCO.C=CC(=O)OCCCO
InChIInChI=1S/C8H14O3.C6H10O3/c1-7(2)8(10)11-6-4-3-5-9;1-2-6(8)9-5-3-4-7/h9H,1,3-6H2,2H3;2,7H,1,3-5H2
InChIKeyRBQCXMXIBILAEK-UHFFFAOYSA-N
XLogP0.98
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.98
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

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 86583983
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
methane;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate;2-prop-2-enoyloxyethyl 6-hydroxyhexanoate
CID 161182870
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate?
The IUPAC name of 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate (CID 87503275) is 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate.
What is the SMILES notation for 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate?
The canonical SMILES for 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate is C=C(C)C(=O)OCCCCO.C=CC(=O)OCCCO.
What is the InChIKey of 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate?
The InChIKey is RBQCXMXIBILAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C6H10O3/c1-7(2)8(10)11-6-4-3-5-9;1-2-6(8)9-5-3-4-7/h9H,1,3-6H2,2H3;2,7H,1,3-5H2.
What are the key properties of 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate?
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate is sourced from PubChem (CID 87503275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).