3-(12-hydroxydodecoxy)propane-1,2-diol

C15H32O4 — CID 78063027

IUPAC3-(12-hydroxydodecoxy)propane-1,2-diol
SMILESOCCCCCCCCCCCCOCC(O)CO
InChIInChI=1S/C15H32O4/c16-11-9-7-5-3-1-2-4-6-8-10-12-19-14-15(18)13-17/h15-18H,1-14H2
InChIKeyJJUJIWMPUQQPPZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.25
Rot. Bonds15

About 3-(12-hydroxydodecoxy)propane-1,2-diol

3-(12-hydroxydodecoxy)propane-1,2-diol (PubChem CID 78063027) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(12-hydroxydodecoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(12-hydroxydodecoxy)propane-1,2-diol
PubChem CID78063027
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name3-(12-hydroxydodecoxy)propane-1,2-diol
SMILESOCCCCCCCCCCCCOCC(O)CO
InChIInChI=1S/C15H32O4/c16-11-9-7-5-3-1-2-4-6-8-10-12-19-14-15(18)13-17/h15-18H,1-14H2
InChIKeyJJUJIWMPUQQPPZ-UHFFFAOYSA-N
XLogP2.25
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(12-hydroxydodecoxy)propane-1,2-diol 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

12-(12-hydroxydodecoxy)dodecan-1-ol;propane-1,2,3-triol
CID 86594790
10-(2,3-dihydroxypropoxy)decane-1,1-diol
CID 87342423
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol
CID 87465197

Frequently Asked Questions

What is the IUPAC name of 3-(12-hydroxydodecoxy)propane-1,2-diol?
The IUPAC name of 3-(12-hydroxydodecoxy)propane-1,2-diol (CID 78063027) is 3-(12-hydroxydodecoxy)propane-1,2-diol.
What is the SMILES notation for 3-(12-hydroxydodecoxy)propane-1,2-diol?
The canonical SMILES for 3-(12-hydroxydodecoxy)propane-1,2-diol is OCCCCCCCCCCCCOCC(O)CO.
What is the InChIKey of 3-(12-hydroxydodecoxy)propane-1,2-diol?
The InChIKey is JJUJIWMPUQQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c16-11-9-7-5-3-1-2-4-6-8-10-12-19-14-15(18)13-17/h15-18H,1-14H2.
What are the key properties of 3-(12-hydroxydodecoxy)propane-1,2-diol?
3-(12-hydroxydodecoxy)propane-1,2-diol has a molecular weight of 276.42 g/mol, XLogP of 2.25, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-hydroxydodecoxy)propane-1,2-diol is sourced from PubChem (CID 78063027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).