17-pentadecyltritriacontane

C48H98 — CID 173257606

IUPAC17-pentadecyltritriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C48H98/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-48(45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKeyUJJPBJGSMFIPNX-UHFFFAOYSA-N
MW675.31 g/mol
LogP18.83
Rot. Bonds44

About 17-pentadecyltritriacontane

17-pentadecyltritriacontane (PubChem CID 173257606) has the molecular formula C48H98 and a molecular weight of 675.31 g/mol. Its IUPAC name is 17-pentadecyltritriacontane.

Molecular Properties

Compound Name17-pentadecyltritriacontane
PubChem CID173257606
Molecular FormulaC48H98
Molecular Weight675.31 g/mol
Exact Mass674.77
IUPAC Name17-pentadecyltritriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C48H98/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-48(45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKeyUJJPBJGSMFIPNX-UHFFFAOYSA-N
XLogP18.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.31
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 17-pentadecyltritriacontane?
The IUPAC name of 17-pentadecyltritriacontane (CID 173257606) is 17-pentadecyltritriacontane.
What is the SMILES notation for 17-pentadecyltritriacontane?
The canonical SMILES for 17-pentadecyltritriacontane is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of 17-pentadecyltritriacontane?
The InChIKey is UJJPBJGSMFIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H98/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-48(45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3.
What are the key properties of 17-pentadecyltritriacontane?
17-pentadecyltritriacontane has a molecular weight of 675.31 g/mol, XLogP of 18.83, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-pentadecyltritriacontane is sourced from PubChem (CID 173257606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).