7-pentylnonadecane

C24H50 — CID 59903423

IUPAC7-pentylnonadecane
SMILESCCCCCCCCCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C24H50/c1-4-7-10-12-13-14-15-16-17-20-23-24(21-18-9-6-3)22-19-11-8-5-2/h24H,4-23H2,1-3H3
InChIKeyMPICCBOTSNVPJA-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.46
Rot. Bonds20

About 7-pentylnonadecane

7-pentylnonadecane (PubChem CID 59903423) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 7-pentylnonadecane.

Molecular Properties

Compound Name7-pentylnonadecane
PubChem CID59903423
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name7-pentylnonadecane
SMILESCCCCCCCCCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C24H50/c1-4-7-10-12-13-14-15-16-17-20-23-24(21-18-9-6-3)22-19-11-8-5-2/h24H,4-23H2,1-3H3
InChIKeyMPICCBOTSNVPJA-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.46
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
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 7-pentylnonadecane?
The IUPAC name of 7-pentylnonadecane (CID 59903423) is 7-pentylnonadecane.
What is the SMILES notation for 7-pentylnonadecane?
The canonical SMILES for 7-pentylnonadecane is CCCCCCCCCCCCC(CCCCC)CCCCCC.
What is the InChIKey of 7-pentylnonadecane?
The InChIKey is MPICCBOTSNVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-4-7-10-12-13-14-15-16-17-20-23-24(21-18-9-6-3)22-19-11-8-5-2/h24H,4-23H2,1-3H3.
What are the key properties of 7-pentylnonadecane?
7-pentylnonadecane has a molecular weight of 338.66 g/mol, XLogP of 9.46, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentylnonadecane is sourced from PubChem (CID 59903423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).