butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate

C14H24O5 — CID 172788583

IUPACbutyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=CC(=O)OCCCC
InChIInChI=1S/C7H12O3.C7H12O2/c1-5(2)7(9)10-4-6(3)8;1-3-5-6-9-7(8)4-2/h6,8H,1,4H2,2-3H3;4H,2-3,5-6H2,1H3
InChIKeyPGBVSZNHPJHRGY-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.00
Rot. Bonds7

About butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate

butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate (PubChem CID 172788583) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
PubChem CID172788583
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namebutyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=CC(=O)OCCCC
InChIInChI=1S/C7H12O3.C7H12O2/c1-5(2)7(9)10-4-6(3)8;1-3-5-6-9-7(8)4-2/h6,8H,1,4H2,2-3H3;4H,2-3,5-6H2,1H3
InChIKeyPGBVSZNHPJHRGY-UHFFFAOYSA-N
XLogP2.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
butyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium;2-methylbuta-1,3-diene;chloride
CID 173247639
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate
CID 175726078
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
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
butyl 2-methylprop-2-enoate;2-ethylbutyl prop-2-enoate
CID 88771560
butyl 2-methylprop-2-enoate;2-methylpropane;methyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 174913264
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate (CID 172788583) is butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)O.C=CC(=O)OCCCC.
What is the InChIKey of butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The InChIKey is PGBVSZNHPJHRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C7H12O2/c1-5(2)7(9)10-4-6(3)8;1-3-5-6-9-7(8)4-2/h6,8H,1,4H2,2-3H3;4H,2-3,5-6H2,1H3.
What are the key properties of butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate has a molecular weight of 272.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 172788583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).