14-(2-methylprop-2-enoyloxy)tetradecanoic acid

C18H32O4 — CID 139687613

IUPAC14-(2-methylprop-2-enoyloxy)tetradecanoic acid
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-16(2)18(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-17(19)20/h1,3-15H2,2H3,(H,19,20)
InChIKeyWGJIJRZOVLQQJR-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.87
Rot. Bonds15

About 14-(2-methylprop-2-enoyloxy)tetradecanoic acid

14-(2-methylprop-2-enoyloxy)tetradecanoic acid (PubChem CID 139687613) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 14-(2-methylprop-2-enoyloxy)tetradecanoic acid.

Molecular Properties

Compound Name14-(2-methylprop-2-enoyloxy)tetradecanoic acid
PubChem CID139687613
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name14-(2-methylprop-2-enoyloxy)tetradecanoic acid
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-16(2)18(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-17(19)20/h1,3-15H2,2H3,(H,19,20)
InChIKeyWGJIJRZOVLQQJR-UHFFFAOYSA-N
XLogP4.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

9-(2-methylprop-2-enoyloxy)nonanoic acid
CID 58887171
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
10-[3-(2-methylprop-2-enoyloxy)propylamino]-10-oxodecanoic acid
CID 118143869
8-[3-(2-methylprop-2-enoyloxy)propylamino]-8-oxooctanoic acid
CID 118143504
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid
CID 88979296
(13-hydrazinyl-13-oxotridecyl) 2-methylprop-2-enoate
CID 87973462
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of 14-(2-methylprop-2-enoyloxy)tetradecanoic acid?
The IUPAC name of 14-(2-methylprop-2-enoyloxy)tetradecanoic acid (CID 139687613) is 14-(2-methylprop-2-enoyloxy)tetradecanoic acid.
What is the SMILES notation for 14-(2-methylprop-2-enoyloxy)tetradecanoic acid?
The canonical SMILES for 14-(2-methylprop-2-enoyloxy)tetradecanoic acid is C=C(C)C(=O)OCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-(2-methylprop-2-enoyloxy)tetradecanoic acid?
The InChIKey is WGJIJRZOVLQQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-16(2)18(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-17(19)20/h1,3-15H2,2H3,(H,19,20).
What are the key properties of 14-(2-methylprop-2-enoyloxy)tetradecanoic acid?
14-(2-methylprop-2-enoyloxy)tetradecanoic acid has a molecular weight of 312.45 g/mol, XLogP of 4.87, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-methylprop-2-enoyloxy)tetradecanoic acid is sourced from PubChem (CID 139687613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).