15-pentylheptatriacontane

C42H86 — CID 91048198

IUPAC15-pentylheptatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C42H86/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-38-41-42(39-36-9-6-3)40-37-34-32-30-28-19-17-15-13-11-8-5-2/h42H,4-41H2,1-3H3
InChIKeyGQVAZCAEQAYNIO-UHFFFAOYSA-N
MW591.15 g/mol
LogP16.49
Rot. Bonds38

About 15-pentylheptatriacontane

15-pentylheptatriacontane (PubChem CID 91048198) has the molecular formula C42H86 and a molecular weight of 591.15 g/mol. Its IUPAC name is 15-pentylheptatriacontane.

Molecular Properties

Compound Name15-pentylheptatriacontane
PubChem CID91048198
Molecular FormulaC42H86
Molecular Weight591.15 g/mol
Exact Mass590.67
IUPAC Name15-pentylheptatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C42H86/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-38-41-42(39-36-9-6-3)40-37-34-32-30-28-19-17-15-13-11-8-5-2/h42H,4-41H2,1-3H3
InChIKeyGQVAZCAEQAYNIO-UHFFFAOYSA-N
XLogP16.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.15
LogP ≤ 516.49
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
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
7-pentylpentacosane
CID 91214353

Frequently Asked Questions

What is the IUPAC name of 15-pentylheptatriacontane?
The IUPAC name of 15-pentylheptatriacontane (CID 91048198) is 15-pentylheptatriacontane.
What is the SMILES notation for 15-pentylheptatriacontane?
The canonical SMILES for 15-pentylheptatriacontane is CCCCCCCCCCCCCCCCCCCCCCC(CCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of 15-pentylheptatriacontane?
The InChIKey is GQVAZCAEQAYNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H86/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-38-41-42(39-36-9-6-3)40-37-34-32-30-28-19-17-15-13-11-8-5-2/h42H,4-41H2,1-3H3.
What are the key properties of 15-pentylheptatriacontane?
15-pentylheptatriacontane has a molecular weight of 591.15 g/mol, XLogP of 16.49, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-pentylheptatriacontane is sourced from PubChem (CID 91048198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).