[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate

C20H34O4 — CID 140695819

IUPAC[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCC(C)C)OC(=O)C(=C)C
InChIInChI=1S/C20H34O4/c1-15(2)13-11-9-7-8-10-12-14-18(23-19(21)16(3)4)24-20(22)17(5)6/h15,18H,3,5,7-14H2,1-2,4,6H3
InChIKeyJLNJAHLDHOYQKH-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.33
Rot. Bonds13

About [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate

[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate (PubChem CID 140695819) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate
PubChem CID140695819
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCC(C)C)OC(=O)C(=C)C
InChIInChI=1S/C20H34O4/c1-15(2)13-11-9-7-8-10-12-14-18(23-19(21)16(3)4)24-20(22)17(5)6/h15,18H,3,5,7-14H2,1-2,4,6H3
InChIKeyJLNJAHLDHOYQKH-UHFFFAOYSA-N
XLogP5.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.33
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

2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
1-(2-methylprop-2-enoyloxy)decyl 2-methylpropanoate
CID 164750020
1-methoxyheptyl 2-methylprop-2-enoate
CID 140764292
[12-methyl-2-(8-methylnonyl)tridecyl] 2-methylprop-2-enoate
CID 140900809
[4-[6-(butylamino)hexylamino]-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139786044
1-methoxypentyl 2-methylprop-2-enoate
CID 140764289
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
1-ethoxypentyl 2-methylprop-2-enoate
CID 118268254
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
propan-2-yl 2-methylprop-2-enoate
CID 146421311
18-methylnonadecyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 139721174
undecan-5-yl 2-methylprop-2-enoate
CID 87158130

Frequently Asked Questions

What is the IUPAC name of [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate?
The IUPAC name of [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate (CID 140695819) is [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate.
What is the SMILES notation for [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate?
The canonical SMILES for [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCCC(C)C)OC(=O)C(=C)C.
What is the InChIKey of [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate?
The InChIKey is JLNJAHLDHOYQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-15(2)13-11-9-7-8-10-12-14-18(23-19(21)16(3)4)24-20(22)17(5)6/h15,18H,3,5,7-14H2,1-2,4,6H3.
What are the key properties of [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate?
[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate has a molecular weight of 338.49 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140695819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).