15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane

C74H150O5 — CID 175226226

IUPAC15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
SMILESCCCCCCCCCOC(CCCCCCCCCCCCCC(CCCC)OC(CCCC)CCCCCCCCCCCCCC(OCCCCCCCCC)OCCCCCCCCC)OCCCCCCCCC
InChIInChI=1S/C74H150O5/c1-7-13-19-23-41-49-57-67-75-73(76-68-58-50-42-24-20-14-8-2)65-55-47-39-35-31-27-29-33-37-45-53-63-71(61-17-11-5)79-72(62-18-12-6)64-54-46-38-34-30-28-32-36-40-48-56-66-74(77-69-59-51-43-25-21-15-9-3)78-70-60-52-44-26-22-16-10-4/h71-74H,7-70H2,1-6H3
InChIKeyICZJSHQKDLPKQJ-UHFFFAOYSA-N
MW1120.01 g/mol
LogP25.98
Rot. Bonds72

About 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane

15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane (PubChem CID 175226226) has the molecular formula C74H150O5 and a molecular weight of 1120.01 g/mol. Its IUPAC name is 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane.

Molecular Properties

Compound Name15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
PubChem CID175226226
Molecular FormulaC74H150O5
Molecular Weight1120.01 g/mol
Exact Mass1119.15
IUPAC Name15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
SMILESCCCCCCCCCOC(CCCCCCCCCCCCCC(CCCC)OC(CCCC)CCCCCCCCCCCCCC(OCCCCCCCCC)OCCCCCCCCC)OCCCCCCCCC
InChIInChI=1S/C74H150O5/c1-7-13-19-23-41-49-57-67-75-73(76-68-58-50-42-24-20-14-8-2)65-55-47-39-35-31-27-29-33-37-45-53-63-71(61-17-11-5)79-72(62-18-12-6)64-54-46-38-34-30-28-32-36-40-48-56-66-74(77-69-59-51-43-25-21-15-9-3)78-70-60-52-44-26-22-16-10-4/h71-74H,7-70H2,1-6H3
InChIKeyICZJSHQKDLPKQJ-UHFFFAOYSA-N
XLogP25.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds72
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.01
LogP ≤ 525.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane 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

1,1-dibutoxyoctane
CID 54557001
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
6-tricosan-6-yloxytricosane
CID 57279617
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-methyl-1,1-dioctoxyheptane
CID 171428766
4-hexadecan-5-yloxyhexadecane
CID 57069400
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
10-bromo-1,1-di(nonoxy)decane
CID 146509943
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734

Frequently Asked Questions

What is the IUPAC name of 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane?
The IUPAC name of 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane (CID 175226226) is 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane.
What is the SMILES notation for 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane?
The canonical SMILES for 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane is CCCCCCCCCOC(CCCCCCCCCCCCCC(CCCC)OC(CCCC)CCCCCCCCCCCCCC(OCCCCCCCCC)OCCCCCCCCC)OCCCCCCCCC.
What is the InChIKey of 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane?
The InChIKey is ICZJSHQKDLPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H150O5/c1-7-13-19-23-41-49-57-67-75-73(76-68-58-50-42-24-20-14-8-2)65-55-47-39-35-31-27-29-33-37-45-53-63-71(61-17-11-5)79-72(62-18-12-6)64-54-46-38-34-30-28-32-36-40-48-56-66-74(77-69-59-51-43-25-21-15-9-3)78-70-60-52-44-26-22-16-10-4/h71-74H,7-70H2,1-6H3.
What are the key properties of 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane?
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane has a molecular weight of 1120.01 g/mol, XLogP of 25.98, 72 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane is sourced from PubChem (CID 175226226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).