2,3-dihydroxypropyl 2-methyltetradecanoate

C18H36O4 — CID 71388379

IUPAC2,3-dihydroxypropyl 2-methyltetradecanoate
SMILESCCCCCCCCCCCCC(C)C(=O)OCC(O)CO
InChIInChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(21)22-15-17(20)14-19/h16-17,19-20H,3-15H2,1-2H3
InChIKeyADKYLNMLIUWCBM-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.83
Rot. Bonds15

About 2,3-dihydroxypropyl 2-methyltetradecanoate

2,3-dihydroxypropyl 2-methyltetradecanoate (PubChem CID 71388379) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-methyltetradecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-methyltetradecanoate
PubChem CID71388379
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name2,3-dihydroxypropyl 2-methyltetradecanoate
SMILESCCCCCCCCCCCCC(C)C(=O)OCC(O)CO
InChIInChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(21)22-15-17(20)14-19/h16-17,19-20H,3-15H2,1-2H3
InChIKeyADKYLNMLIUWCBM-UHFFFAOYSA-N
XLogP3.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxypropyl 2-methyltetradecanoate 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

2,3-dihydroxypropyl 2-octylpentatriacontanoate
CID 174634384
2,3-dihydroxypropyl 2-hexadecylicosanoate
CID 175104838
2,3-dihydroxypropyl 2-propan-2-yltetradecanoate
CID 50906597
O-(2,3-dihydroxypropyl) 2-methyldodecanethioate
CID 88784146
2,3-dihydroxypropyl 2-ethyldodecanoate
CID 175496101
2,3-dihydroxypropyl 2-decoxyoctanoate
CID 87107151
2,3-dihydroxypropyl 2-hydroxyoctadecanoate;prop-1-ene
CID 158413236
2,3-bis(2-methyltricosanoyloxy)propyl 2-methyltricosanoate
CID 23526471
2,3-dihydroxypropyl 2-butyl-3-hydroxyoctanoate
CID 87556423
2,3-dihydroxypropyl 2-hexadec-7-enylicos-11-enoate
CID 90771679
butyl 2-methyloctanoate
CID 54180722
hexyl 2-methyldodecanoate
CID 174392697

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-methyltetradecanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-methyltetradecanoate (CID 71388379) is 2,3-dihydroxypropyl 2-methyltetradecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-methyltetradecanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-methyltetradecanoate is CCCCCCCCCCCCC(C)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-methyltetradecanoate?
The InChIKey is ADKYLNMLIUWCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(21)22-15-17(20)14-19/h16-17,19-20H,3-15H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl 2-methyltetradecanoate?
2,3-dihydroxypropyl 2-methyltetradecanoate has a molecular weight of 316.48 g/mol, XLogP of 3.83, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-methyltetradecanoate is sourced from PubChem (CID 71388379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).