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

C22H42O6 — CID 123232921

IUPACdodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=COCCOCCOCCO
InChIInChI=1S/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-14-28-22(24)21(2)20-27-19-18-26-17-16-25-15-13-23/h20,23H,3-19H2,1-2H3
InChIKeyJWPUMSGXWFALNW-UHFFFAOYSA-N
MW402.57 g/mol
LogP4.40
Rot. Bonds21

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

dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate (PubChem CID 123232921) has the molecular formula C22H42O6 and a molecular weight of 402.57 g/mol. Its IUPAC name is dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate.

Molecular Properties

Compound Namedodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
PubChem CID123232921
Molecular FormulaC22H42O6
Molecular Weight402.57 g/mol
Exact Mass402.30
IUPAC Namedodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=COCCOCCOCCO
InChIInChI=1S/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-14-28-22(24)21(2)20-27-19-18-26-17-16-25-15-13-23/h20,23H,3-19H2,1-2H3
InChIKeyJWPUMSGXWFALNW-UHFFFAOYSA-N
XLogP4.40
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
CID 123776236
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-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
The IUPAC name of dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate (CID 123232921) is dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate.
What is the SMILES notation for dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
The canonical SMILES for dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate is CCCCCCCCCCCCOC(=O)C(C)=COCCOCCOCCO.
What is the InChIKey of dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
The InChIKey is JWPUMSGXWFALNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-14-28-22(24)21(2)20-27-19-18-26-17-16-25-15-13-23/h20,23H,3-19H2,1-2H3.
What are the key properties of dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate?
dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate has a molecular weight of 402.57 g/mol, XLogP of 4.40, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate is sourced from PubChem (CID 123232921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).