15,16-dihydroxyhexadecan-2-yl tetradecanoate

C30H60O4 — CID 87457029

IUPAC15,16-dihydroxyhexadecan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCC(O)CO
InChIInChI=1S/C30H60O4/c1-3-4-5-6-7-8-9-14-17-20-23-26-30(33)34-28(2)24-21-18-15-12-10-11-13-16-19-22-25-29(32)27-31/h28-29,31-32H,3-27H2,1-2H3
InChIKeyGACVLIGNHOABBW-UHFFFAOYSA-N
MW484.81 g/mol
LogP8.65
Rot. Bonds27

About 15,16-dihydroxyhexadecan-2-yl tetradecanoate

15,16-dihydroxyhexadecan-2-yl tetradecanoate (PubChem CID 87457029) has the molecular formula C30H60O4 and a molecular weight of 484.81 g/mol. Its IUPAC name is 15,16-dihydroxyhexadecan-2-yl tetradecanoate.

Molecular Properties

Compound Name15,16-dihydroxyhexadecan-2-yl tetradecanoate
PubChem CID87457029
Molecular FormulaC30H60O4
Molecular Weight484.81 g/mol
Exact Mass484.45
IUPAC Name15,16-dihydroxyhexadecan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCC(O)CO
InChIInChI=1S/C30H60O4/c1-3-4-5-6-7-8-9-14-17-20-23-26-30(33)34-28(2)24-21-18-15-12-10-11-13-16-19-22-25-29(32)27-31/h28-29,31-32H,3-27H2,1-2H3
InChIKeyGACVLIGNHOABBW-UHFFFAOYSA-N
XLogP8.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15,16-dihydroxyhexadecan-2-yl tetradecanoate 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

decan-2-yl tetradecanoate;bis(propane-1,2,3-triol)
CID 174472710
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
heptadecan-2-yl tetradecanoate
CID 54293612
dioctan-2-yl pentanedioate
CID 71404705
2-butyloctan-1-ol;octan-2-yl dodecanoate
CID 175009074
CID 165051980
CID 165051980
tetradecan-2-yl 6-bromohexanoate
CID 534466
23-docosanoyloxytetracosanoic acid
CID 133050807
hexadecanoic acid;octan-2-yl decanoate
CID 175161425

Frequently Asked Questions

What is the IUPAC name of 15,16-dihydroxyhexadecan-2-yl tetradecanoate?
The IUPAC name of 15,16-dihydroxyhexadecan-2-yl tetradecanoate (CID 87457029) is 15,16-dihydroxyhexadecan-2-yl tetradecanoate.
What is the SMILES notation for 15,16-dihydroxyhexadecan-2-yl tetradecanoate?
The canonical SMILES for 15,16-dihydroxyhexadecan-2-yl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCC(O)CO.
What is the InChIKey of 15,16-dihydroxyhexadecan-2-yl tetradecanoate?
The InChIKey is GACVLIGNHOABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O4/c1-3-4-5-6-7-8-9-14-17-20-23-26-30(33)34-28(2)24-21-18-15-12-10-11-13-16-19-22-25-29(32)27-31/h28-29,31-32H,3-27H2,1-2H3.
What are the key properties of 15,16-dihydroxyhexadecan-2-yl tetradecanoate?
15,16-dihydroxyhexadecan-2-yl tetradecanoate has a molecular weight of 484.81 g/mol, XLogP of 8.65, 27 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dihydroxyhexadecan-2-yl tetradecanoate is sourced from PubChem (CID 87457029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).