4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

C14H24O6 — CID 87803089

IUPAC4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCO.C=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O3.C6H10O3/c1-7(2)8(10)11-6-4-3-5-9;1-5(2)6(8)9-4-3-7/h9H,1,3-6H2,2H3;7H,1,3-4H2,2H3
InChIKeyDYJXKJWCGMZCCE-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.98
Rot. Bonds8

About 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 87803089) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID87803089
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCO.C=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O3.C6H10O3/c1-7(2)8(10)11-6-4-3-5-9;1-5(2)6(8)9-4-3-7/h9H,1,3-6H2,2H3;7H,1,3-4H2,2H3
InChIKeyDYJXKJWCGMZCCE-UHFFFAOYSA-N
XLogP0.98
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-hydroxybutyl 2-methylprop-2-enoate;3-oxobutanoic acid
CID 158017559
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl 2-methylprop-2-enoate
CID 87263491
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (CID 87803089) is 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCO.C=C(C)C(=O)OCCO.
What is the InChIKey of 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is DYJXKJWCGMZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C6H10O3/c1-7(2)8(10)11-6-4-3-5-9;1-5(2)6(8)9-4-3-7/h9H,1,3-6H2,2H3;7H,1,3-4H2,2H3.
What are the key properties of 4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 0.98, 8 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;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87803089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).