2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate

C22H40O5 — CID 87841957

IUPAC2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCC.C=CC(=O)OCCO
InChIInChI=1S/C17H32O2.C5H8O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;1-2-5(7)8-4-3-6/h2,4-15H2,1,3H3;2,6H,1,3-4H2
InChIKeyDSXAWRNOFCGGBV-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.12
Rot. Bonds16

About 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate

2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate (PubChem CID 87841957) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
PubChem CID87841957
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCC.C=CC(=O)OCCO
InChIInChI=1S/C17H32O2.C5H8O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;1-2-5(7)8-4-3-6/h2,4-15H2,1,3H3;2,6H,1,3-4H2
InChIKeyDSXAWRNOFCGGBV-UHFFFAOYSA-N
XLogP5.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.12
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 prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
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;octadecyl prop-2-enoate
CID 87991734
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
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
butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 158814067
2-hydroxyethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;(3,3,4,4-tetrafluoro-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 87121770

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate (CID 87841957) is 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCC.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate?
The InChIKey is DSXAWRNOFCGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2.C5H8O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;1-2-5(7)8-4-3-6/h2,4-15H2,1,3H3;2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate?
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate has a molecular weight of 384.56 g/mol, XLogP of 5.12, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate is sourced from PubChem (CID 87841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).