15-propyl-1-(15-propylhentriacontoxy)hentriacontane

C68H138O — CID 57489427

IUPAC15-propyl-1-(15-propylhentriacontoxy)hentriacontane
SMILESCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCOCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C68H138O/c1-5-9-11-13-15-17-19-21-23-29-35-41-47-53-61-67(59-7-3)63-55-49-43-37-31-25-27-33-39-45-51-57-65-69-66-58-52-46-40-34-28-26-32-38-44-50-56-64-68(60-8-4)62-54-48-42-36-30-24-22-20-18-16-14-12-10-6-2/h67-68H,5-66H2,1-4H3
InChIKeyGOQUFAAKANUYFB-UHFFFAOYSA-N
MW971.85 g/mol
LogP25.72
Rot. Bonds64

About 15-propyl-1-(15-propylhentriacontoxy)hentriacontane

15-propyl-1-(15-propylhentriacontoxy)hentriacontane (PubChem CID 57489427) has the molecular formula C68H138O and a molecular weight of 971.85 g/mol. Its IUPAC name is 15-propyl-1-(15-propylhentriacontoxy)hentriacontane.

Molecular Properties

Compound Name15-propyl-1-(15-propylhentriacontoxy)hentriacontane
PubChem CID57489427
Molecular FormulaC68H138O
Molecular Weight971.85 g/mol
Exact Mass971.07
IUPAC Name15-propyl-1-(15-propylhentriacontoxy)hentriacontane
SMILESCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCOCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C68H138O/c1-5-9-11-13-15-17-19-21-23-29-35-41-47-53-61-67(59-7-3)63-55-49-43-37-31-25-27-33-39-45-51-57-65-69-66-58-52-46-40-34-28-26-32-38-44-50-56-64-68(60-8-4)62-54-48-42-36-30-24-22-20-18-16-14-12-10-6-2/h67-68H,5-66H2,1-4H3
InChIKeyGOQUFAAKANUYFB-UHFFFAOYSA-N
XLogP25.72
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 ≤ 525.72
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

13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
5-propylpentacosane
CID 91493421
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-(butoxymethyl)nonane
CID 87066766

Frequently Asked Questions

What is the IUPAC name of 15-propyl-1-(15-propylhentriacontoxy)hentriacontane?
The IUPAC name of 15-propyl-1-(15-propylhentriacontoxy)hentriacontane (CID 57489427) is 15-propyl-1-(15-propylhentriacontoxy)hentriacontane.
What is the SMILES notation for 15-propyl-1-(15-propylhentriacontoxy)hentriacontane?
The canonical SMILES for 15-propyl-1-(15-propylhentriacontoxy)hentriacontane is CCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCOCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of 15-propyl-1-(15-propylhentriacontoxy)hentriacontane?
The InChIKey is GOQUFAAKANUYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H138O/c1-5-9-11-13-15-17-19-21-23-29-35-41-47-53-61-67(59-7-3)63-55-49-43-37-31-25-27-33-39-45-51-57-65-69-66-58-52-46-40-34-28-26-32-38-44-50-56-64-68(60-8-4)62-54-48-42-36-30-24-22-20-18-16-14-12-10-6-2/h67-68H,5-66H2,1-4H3.
What are the key properties of 15-propyl-1-(15-propylhentriacontoxy)hentriacontane?
15-propyl-1-(15-propylhentriacontoxy)hentriacontane has a molecular weight of 971.85 g/mol, XLogP of 25.72, 64 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propyl-1-(15-propylhentriacontoxy)hentriacontane is sourced from PubChem (CID 57489427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).