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

C11H18O5 — CID 86583983

IUPAC3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC(=O)OCCCO
InChIInChI=1S/C6H10O3.C5H8O2/c1-2-6(8)9-5-3-4-7;1-4(2)5(6)7-3/h2,7H,1,3-5H2;1H2,2-3H3
InChIKeyUUCCPRNCCJBINL-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.83
Rot. Bonds5

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

3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 86583983) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID86583983
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC(=O)OCCCO
InChIInChI=1S/C6H10O3.C5H8O2/c1-2-6(8)9-5-3-4-7;1-4(2)5(6)7-3/h2,7H,1,3-5H2;1H2,2-3H3
InChIKeyUUCCPRNCCJBINL-UHFFFAOYSA-N
XLogP0.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.83
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

3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 174956610
acetyl acetate;3-hydroxypropyl prop-2-enoate
CID 146356068
3-hydroxypropyl prop-2-enoate;prop-1-en-2-ylphosphonic acid
CID 86739384
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
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
2-(butylamino)ethyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid
CID 158944800
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate (CID 86583983) is 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=CC(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is UUCCPRNCCJBINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H8O2/c1-2-6(8)9-5-3-4-7;1-4(2)5(6)7-3/h2,7H,1,3-5H2;1H2,2-3H3.
What are the key properties of 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 86583983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).