3-hydroxybutyl 2-methylprop-2-enoate

C8H14O3 — CID 3017987

IUPAC3-hydroxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)O
InChIInChI=1S/C8H14O3/c1-6(2)8(10)11-5-4-7(3)9/h7,9H,1,4-5H2,2-3H3
InChIKeyVHNJXLWRTQNIPD-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds4

About 3-hydroxybutyl 2-methylprop-2-enoate

3-hydroxybutyl 2-methylprop-2-enoate (PubChem CID 3017987) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-hydroxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-hydroxybutyl 2-methylprop-2-enoate
PubChem CID3017987
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-hydroxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)O
InChIInChI=1S/C8H14O3/c1-6(2)8(10)11-5-4-7(3)9/h7,9H,1,4-5H2,2-3H3
InChIKeyVHNJXLWRTQNIPD-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Butyleneglycol dimethacrylate
CID 70916
Hydroxypropyl Methacrylate
CID 34023
Glyceryl methacrylate
CID 65442
sec-Butyl methacrylate
CID 97732
3-Hydroxypropyl methacrylate
CID 17694
4-Hydroxybutyl methacrylate
CID 70457
Glycerol 1,3-dimethacrylate
CID 74594
2-(Hydroxymethyl)-2-(((2-methyl-1-oxoallyl)oxy)methyl)-1,3-propanediyl bismethacrylate
CID 77057
2-Hydroxybutyl methacrylate
CID 4346656
Butanoic acid, 3-hydroxy-2-methylene-, ethyl ester
CID 10855587
1-Hydroxybutyl 2-methylprop-2-enoate
CID 3015483
Pentaerythritol monomethacrylate
CID 10219877

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutyl 2-methylprop-2-enoate?
The IUPAC name of 3-hydroxybutyl 2-methylprop-2-enoate (CID 3017987) is 3-hydroxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-hydroxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 3-hydroxybutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)O.
What is the InChIKey of 3-hydroxybutyl 2-methylprop-2-enoate?
The InChIKey is VHNJXLWRTQNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)8(10)11-5-4-7(3)9/h7,9H,1,4-5H2,2-3H3.
What are the key properties of 3-hydroxybutyl 2-methylprop-2-enoate?
3-hydroxybutyl 2-methylprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 3017987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).