19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol

C100H202O3 — CID 139975376

IUPAC19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCO)OC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C100H202O3/c1-5-9-13-17-21-25-29-33-45-53-61-69-77-85-93-99(91-83-75-67-59-51-43-31-27-23-19-15-11-7-3,95-87-79-71-63-55-47-39-35-37-41-49-57-65-73-81-89-97-101)103-100(92-84-76-68-60-52-44-32-28-24-20-16-12-8-4,94-86-78-70-62-54-46-34-30-26-22-18-14-10-6-2)96-88-80-72-64-56-48-40-36-38-42-50-58-66-74-82-90-98-102/h101-102H,5-98H2,1-4H3
InChIKeyWFKRNTJHGCUYDI-UHFFFAOYSA-N
MW1452.71 g/mol
LogP36.43
Rot. Bonds96

About 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol

19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol (PubChem CID 139975376) has the molecular formula C100H202O3 and a molecular weight of 1452.71 g/mol. Its IUPAC name is 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol.

Molecular Properties

Compound Name19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
PubChem CID139975376
Molecular FormulaC100H202O3
Molecular Weight1452.71 g/mol
Exact Mass1451.57
IUPAC Name19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCO)OC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C100H202O3/c1-5-9-13-17-21-25-29-33-45-53-61-69-77-85-93-99(91-83-75-67-59-51-43-31-27-23-19-15-11-7-3,95-87-79-71-63-55-47-39-35-37-41-49-57-65-73-81-89-97-101)103-100(92-84-76-68-60-52-44-32-28-24-20-16-12-8-4,94-86-78-70-62-54-46-34-30-26-22-18-14-10-6-2)96-88-80-72-64-56-48-40-36-38-42-50-58-66-74-82-90-98-102/h101-102H,5-98H2,1-4H3
InChIKeyWFKRNTJHGCUYDI-UHFFFAOYSA-N
XLogP36.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds96
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.71
LogP ≤ 536.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol 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

calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
undecan-1-ol
CID 122455065
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol?
The IUPAC name of 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol (CID 139975376) is 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol.
What is the SMILES notation for 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol?
The canonical SMILES for 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCO)OC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol?
The InChIKey is WFKRNTJHGCUYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H202O3/c1-5-9-13-17-21-25-29-33-45-53-61-69-77-85-93-99(91-83-75-67-59-51-43-31-27-23-19-15-11-7-3,95-87-79-71-63-55-47-39-35-37-41-49-57-65-73-81-89-97-101)103-100(92-84-76-68-60-52-44-32-28-24-20-16-12-8-4,94-86-78-70-62-54-46-34-30-26-22-18-14-10-6-2)96-88-80-72-64-56-48-40-36-38-42-50-58-66-74-82-90-98-102/h101-102H,5-98H2,1-4H3.
What are the key properties of 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol?
19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol has a molecular weight of 1452.71 g/mol, XLogP of 36.43, 96 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol is sourced from PubChem (CID 139975376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).