dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate

C20H38O5 — CID 123776236

IUPACdodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=COCCOCCO
InChIInChI=1S/C20H38O5/c1-3-4-5-6-7-8-9-10-11-12-14-25-20(22)19(2)18-24-17-16-23-15-13-21/h18,21H,3-17H2,1-2H3
InChIKeyIJDYEDBLAROYCC-UHFFFAOYSA-N
MW358.52 g/mol
LogP4.38
Rot. Bonds18

About dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate

dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate (PubChem CID 123776236) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate.

Molecular Properties

Compound Namedodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
PubChem CID123776236
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Namedodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=COCCOCCO
InChIInChI=1S/C20H38O5/c1-3-4-5-6-7-8-9-10-11-12-14-25-20(22)19(2)18-24-17-16-23-15-13-21/h18,21H,3-17H2,1-2H3
InChIKeyIJDYEDBLAROYCC-UHFFFAOYSA-N
XLogP4.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 123232921
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
undecyl (E)-2-methylbut-2-enoate
CID 91701896
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
hexyl 2-methylidenebutanoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 87673238
2-(3-butoxy-2-methyl-3-oxoprop-1-enoxy)ethyl-trimethylazanium
CID 175345950
dodecyl 2-methyl-3-(2-methyl-3-sulfanylprop-2-enoyl)oxyprop-2-enoate
CID 174402283
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918

Frequently Asked Questions

What is the IUPAC name of dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate?
The IUPAC name of dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate (CID 123776236) is dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate.
What is the SMILES notation for dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate?
The canonical SMILES for dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate is CCCCCCCCCCCCOC(=O)C(C)=COCCOCCO.
What is the InChIKey of dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate?
The InChIKey is IJDYEDBLAROYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-3-4-5-6-7-8-9-10-11-12-14-25-20(22)19(2)18-24-17-16-23-15-13-21/h18,21H,3-17H2,1-2H3.
What are the key properties of dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate?
dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate has a molecular weight of 358.52 g/mol, XLogP of 4.38, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate is sourced from PubChem (CID 123776236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).