tetradecyl 2-methyl-2-propyldecanoate

C28H56O2 — CID 175595393

IUPACtetradecyl 2-methyl-2-propyldecanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)(CCC)CCCCCCCC
InChIInChI=1S/C28H56O2/c1-5-8-10-12-14-15-16-17-18-19-21-23-26-30-27(29)28(4,24-7-3)25-22-20-13-11-9-6-2/h5-26H2,1-4H3
InChIKeyBAXWOKCTFQUKAI-UHFFFAOYSA-N
MW424.75 g/mol
LogP9.79
Rot. Bonds23

About tetradecyl 2-methyl-2-propyldecanoate

tetradecyl 2-methyl-2-propyldecanoate (PubChem CID 175595393) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is tetradecyl 2-methyl-2-propyldecanoate.

Molecular Properties

Compound Nametetradecyl 2-methyl-2-propyldecanoate
PubChem CID175595393
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Nametetradecyl 2-methyl-2-propyldecanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)(CCC)CCCCCCCC
InChIInChI=1S/C28H56O2/c1-5-8-10-12-14-15-16-17-18-19-21-23-26-30-27(29)28(4,24-7-3)25-22-20-13-11-9-6-2/h5-26H2,1-4H3
InChIKeyBAXWOKCTFQUKAI-UHFFFAOYSA-N
XLogP9.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tetradecyl 2-methyl-2-propyldecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetradecyl 2-methyl-2-propylundecanoate
CID 175595471
undecyl 2-methyl-2-nonyltridecanoate
CID 175595362
decyl 2-methyl-2-pentyltetradecanoate
CID 175595411
tridecyl 2-butyl-2-methyldecanoate
CID 175549124
heptyl 2-butyl-2-methyloctanoate
CID 138503683
tetradecyl 2-butyl-2-methyldecanoate
CID 175595396
heptadecyl 2-ethyl-2-methyldodecanoate
CID 175595439
heptyl 2,2-dimethylpentanoate
CID 138486216
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2-hexyl-2-methyloctanoate
CID 155411368
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725
octyl 2,2-dioctyldecanoate
CID 90110447
hexyl 2,2-dihexyloctanoate
CID 90110386

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-methyl-2-propyldecanoate?
The IUPAC name of tetradecyl 2-methyl-2-propyldecanoate (CID 175595393) is tetradecyl 2-methyl-2-propyldecanoate.
What is the SMILES notation for tetradecyl 2-methyl-2-propyldecanoate?
The canonical SMILES for tetradecyl 2-methyl-2-propyldecanoate is CCCCCCCCCCCCCCOC(=O)C(C)(CCC)CCCCCCCC.
What is the InChIKey of tetradecyl 2-methyl-2-propyldecanoate?
The InChIKey is BAXWOKCTFQUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2/c1-5-8-10-12-14-15-16-17-18-19-21-23-26-30-27(29)28(4,24-7-3)25-22-20-13-11-9-6-2/h5-26H2,1-4H3.
What are the key properties of tetradecyl 2-methyl-2-propyldecanoate?
tetradecyl 2-methyl-2-propyldecanoate has a molecular weight of 424.75 g/mol, XLogP of 9.79, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-methyl-2-propyldecanoate is sourced from PubChem (CID 175595393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).