7-pentyltetracosane

C29H60 — CID 91021095

IUPAC7-pentyltetracosane
SMILESCCCCCCCCCCCCCCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C29H60/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-25-28-29(26-23-9-6-3)27-24-11-8-5-2/h29H,4-28H2,1-3H3
InChIKeyIBGUMRPWLMZATA-UHFFFAOYSA-N
MW408.80 g/mol
LogP11.41
Rot. Bonds25

About 7-pentyltetracosane

7-pentyltetracosane (PubChem CID 91021095) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 7-pentyltetracosane.

Molecular Properties

Compound Name7-pentyltetracosane
PubChem CID91021095
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name7-pentyltetracosane
SMILESCCCCCCCCCCCCCCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C29H60/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-25-28-29(26-23-9-6-3)27-24-11-8-5-2/h29H,4-28H2,1-3H3
InChIKeyIBGUMRPWLMZATA-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.41
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 7-pentyltetracosane?
The IUPAC name of 7-pentyltetracosane (CID 91021095) is 7-pentyltetracosane.
What is the SMILES notation for 7-pentyltetracosane?
The canonical SMILES for 7-pentyltetracosane is CCCCCCCCCCCCCCCCCC(CCCCC)CCCCCC.
What is the InChIKey of 7-pentyltetracosane?
The InChIKey is IBGUMRPWLMZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-25-28-29(26-23-9-6-3)27-24-11-8-5-2/h29H,4-28H2,1-3H3.
What are the key properties of 7-pentyltetracosane?
7-pentyltetracosane has a molecular weight of 408.80 g/mol, XLogP of 11.41, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyltetracosane is sourced from PubChem (CID 91021095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).