23,23-dimethyltetracosyl 2-methylprop-2-enoate

C30H58O2 — CID 178182049

IUPAC23,23-dimethyltetracosyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C30H58O2/c1-28(2)29(31)32-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-30(3,4)5/h1,6-27H2,2-5H3
InChIKeyGRCIKVMVYYKCTL-UHFFFAOYSA-N
MW450.79 g/mol
LogP10.34
Rot. Bonds23

About 23,23-dimethyltetracosyl 2-methylprop-2-enoate

23,23-dimethyltetracosyl 2-methylprop-2-enoate (PubChem CID 178182049) has the molecular formula C30H58O2 and a molecular weight of 450.79 g/mol. Its IUPAC name is 23,23-dimethyltetracosyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name23,23-dimethyltetracosyl 2-methylprop-2-enoate
PubChem CID178182049
Molecular FormulaC30H58O2
Molecular Weight450.79 g/mol
Exact Mass450.44
IUPAC Name23,23-dimethyltetracosyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C30H58O2/c1-28(2)29(31)32-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-30(3,4)5/h1,6-27H2,2-5H3
InChIKeyGRCIKVMVYYKCTL-UHFFFAOYSA-N
XLogP10.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
5-[(2-methylpropan-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 167430528
14-[(2-methylpropan-2-yl)oxy]tetradecyl 2-methylprop-2-enoate
CID 166506035
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
tert-butyl 2-acetyl-2-methyl-7-(2-methylprop-2-enoyloxy)heptanoate
CID 58836413
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150

Frequently Asked Questions

What is the IUPAC name of 23,23-dimethyltetracosyl 2-methylprop-2-enoate?
The IUPAC name of 23,23-dimethyltetracosyl 2-methylprop-2-enoate (CID 178182049) is 23,23-dimethyltetracosyl 2-methylprop-2-enoate.
What is the SMILES notation for 23,23-dimethyltetracosyl 2-methylprop-2-enoate?
The canonical SMILES for 23,23-dimethyltetracosyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C.
What is the InChIKey of 23,23-dimethyltetracosyl 2-methylprop-2-enoate?
The InChIKey is GRCIKVMVYYKCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O2/c1-28(2)29(31)32-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-30(3,4)5/h1,6-27H2,2-5H3.
What are the key properties of 23,23-dimethyltetracosyl 2-methylprop-2-enoate?
23,23-dimethyltetracosyl 2-methylprop-2-enoate has a molecular weight of 450.79 g/mol, XLogP of 10.34, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,23-dimethyltetracosyl 2-methylprop-2-enoate is sourced from PubChem (CID 178182049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).