8-heptyloctadecane

C25H52 — CID 173205504

IUPAC8-heptyloctadecane
SMILESCCCCCCCCCCC(CCCCCCC)CCCCCCC
InChIInChI=1S/C25H52/c1-4-7-10-13-14-15-18-21-24-25(22-19-16-11-8-5-2)23-20-17-12-9-6-3/h25H,4-24H2,1-3H3
InChIKeyJYQGZUFWVAJVEU-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.85
Rot. Bonds21

About 8-heptyloctadecane

8-heptyloctadecane (PubChem CID 173205504) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 8-heptyloctadecane.

Molecular Properties

Compound Name8-heptyloctadecane
PubChem CID173205504
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name8-heptyloctadecane
SMILESCCCCCCCCCCC(CCCCCCC)CCCCCCC
InChIInChI=1S/C25H52/c1-4-7-10-13-14-15-18-21-24-25(22-19-16-11-8-5-2)23-20-17-12-9-6-3/h25H,4-24H2,1-3H3
InChIKeyJYQGZUFWVAJVEU-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.85
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
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 8-heptyloctadecane?
The IUPAC name of 8-heptyloctadecane (CID 173205504) is 8-heptyloctadecane.
What is the SMILES notation for 8-heptyloctadecane?
The canonical SMILES for 8-heptyloctadecane is CCCCCCCCCCC(CCCCCCC)CCCCCCC.
What is the InChIKey of 8-heptyloctadecane?
The InChIKey is JYQGZUFWVAJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-4-7-10-13-14-15-18-21-24-25(22-19-16-11-8-5-2)23-20-17-12-9-6-3/h25H,4-24H2,1-3H3.
What are the key properties of 8-heptyloctadecane?
8-heptyloctadecane has a molecular weight of 352.69 g/mol, XLogP of 9.85, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptyloctadecane is sourced from PubChem (CID 173205504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).