16-tetratriacontan-16-yloxytetratriacontane

C68H138O — CID 91150918

IUPAC16-tetratriacontan-16-yloxytetratriacontane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C68H138O/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-67(63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)69-68(64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h67-68H,5-66H2,1-4H3
InChIKeyQGSHGBCOEPEHGI-UHFFFAOYSA-N
MW971.85 g/mol
LogP26.01
Rot. Bonds64

About 16-tetratriacontan-16-yloxytetratriacontane

16-tetratriacontan-16-yloxytetratriacontane (PubChem CID 91150918) has the molecular formula C68H138O and a molecular weight of 971.85 g/mol. Its IUPAC name is 16-tetratriacontan-16-yloxytetratriacontane.

Molecular Properties

Compound Name16-tetratriacontan-16-yloxytetratriacontane
PubChem CID91150918
Molecular FormulaC68H138O
Molecular Weight971.85 g/mol
Exact Mass971.07
IUPAC Name16-tetratriacontan-16-yloxytetratriacontane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C68H138O/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-67(63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)69-68(64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h67-68H,5-66H2,1-4H3
InChIKeyQGSHGBCOEPEHGI-UHFFFAOYSA-N
XLogP26.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds64
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.85
LogP ≤ 526.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-tricosan-6-yloxytricosane
CID 57279617
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
1-octadecan-9-yloxyethanol
CID 167496272
3-[1-(diethylamino)icosan-3-yloxy]-N,N-diethylicosan-1-amine
CID 11600150
tridecan-4-yloxymethanediol
CID 160683891
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
CID 175226226
(5S)-5-methoxyundecane
CID 118889956
tripentadecan-6-yl phosphite
CID 87207088

Frequently Asked Questions

What is the IUPAC name of 16-tetratriacontan-16-yloxytetratriacontane?
The IUPAC name of 16-tetratriacontan-16-yloxytetratriacontane (CID 91150918) is 16-tetratriacontan-16-yloxytetratriacontane.
What is the SMILES notation for 16-tetratriacontan-16-yloxytetratriacontane?
The canonical SMILES for 16-tetratriacontan-16-yloxytetratriacontane is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 16-tetratriacontan-16-yloxytetratriacontane?
The InChIKey is QGSHGBCOEPEHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H138O/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-65-67(63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)69-68(64-60-56-52-48-44-40-32-28-24-20-16-12-8-4)66-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h67-68H,5-66H2,1-4H3.
What are the key properties of 16-tetratriacontan-16-yloxytetratriacontane?
16-tetratriacontan-16-yloxytetratriacontane has a molecular weight of 971.85 g/mol, XLogP of 26.01, 64 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-tetratriacontan-16-yloxytetratriacontane is sourced from PubChem (CID 91150918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).