dodecyl 2-(methoxymethoxymethyl)prop-2-enoate

C18H34O4 — CID 139756201

IUPACdodecyl 2-(methoxymethoxymethyl)prop-2-enoate
SMILESC=C(COCOC)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-22-18(19)17(2)15-21-16-20-3/h2,4-16H2,1,3H3
InChIKeyLUZSOYXADKRONA-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.63
Rot. Bonds16

About dodecyl 2-(methoxymethoxymethyl)prop-2-enoate

dodecyl 2-(methoxymethoxymethyl)prop-2-enoate (PubChem CID 139756201) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is dodecyl 2-(methoxymethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namedodecyl 2-(methoxymethoxymethyl)prop-2-enoate
PubChem CID139756201
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Namedodecyl 2-(methoxymethoxymethyl)prop-2-enoate
SMILESC=C(COCOC)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-22-18(19)17(2)15-21-16-20-3/h2,4-16H2,1,3H3
InChIKeyLUZSOYXADKRONA-UHFFFAOYSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tridecyl methacrylate
CID 17234
Hexadecyl methacrylate
CID 17235
Tetradecyl methacrylate
CID 17351
1,10-Decamethylene dimethacrylate
CID 81196
Stearyl methacrylate
CID 122600
Pentadecyl methacrylate
CID 80232
Arachidyl methacrylate
CID 155040
12-(2-Methylprop-2-enoyloxy)dodecyl 2-methylprop-2-enoate
CID 175191
2-Propenoic acid, 2-methyl-, docosyl ester
CID 3034258
Nonamethylene Glycol Dimethacrylate (stabilized with MEHQ)
CID 21960809
Heptadecyl methacrylate
CID 80233
1,14-Tetradecanediol dimethacrylate
CID 3612688

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-(methoxymethoxymethyl)prop-2-enoate?
The IUPAC name of dodecyl 2-(methoxymethoxymethyl)prop-2-enoate (CID 139756201) is dodecyl 2-(methoxymethoxymethyl)prop-2-enoate.
What is the SMILES notation for dodecyl 2-(methoxymethoxymethyl)prop-2-enoate?
The canonical SMILES for dodecyl 2-(methoxymethoxymethyl)prop-2-enoate is C=C(COCOC)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-(methoxymethoxymethyl)prop-2-enoate?
The InChIKey is LUZSOYXADKRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-22-18(19)17(2)15-21-16-20-3/h2,4-16H2,1,3H3.
What are the key properties of dodecyl 2-(methoxymethoxymethyl)prop-2-enoate?
dodecyl 2-(methoxymethoxymethyl)prop-2-enoate has a molecular weight of 314.47 g/mol, XLogP of 4.63, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(methoxymethoxymethyl)prop-2-enoate is sourced from PubChem (CID 139756201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).