8-hexyl-8-pentylhexadecane

C27H56 — CID 521602

IUPAC8-hexyl-8-pentylhexadecane
SMILESCCCCCCCCC(CCCCC)(CCCCCC)CCCCCCC
InChIInChI=1S/C27H56/c1-5-9-13-16-18-22-26-27(23-19-12-8-4,24-20-15-11-7-3)25-21-17-14-10-6-2/h5-26H2,1-4H3
InChIKeyRZBHZICXTQDTLO-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.63
Rot. Bonds22

About 8-hexyl-8-pentylhexadecane

8-hexyl-8-pentylhexadecane (PubChem CID 521602) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 8-hexyl-8-pentylhexadecane.

Molecular Properties

Compound Name8-hexyl-8-pentylhexadecane
PubChem CID521602
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name8-hexyl-8-pentylhexadecane
SMILESCCCCCCCCC(CCCCC)(CCCCCC)CCCCCCC
InChIInChI=1S/C27H56/c1-5-9-13-16-18-22-26-27(23-19-12-8-4,24-20-15-11-7-3)25-21-17-14-10-6-2/h5-26H2,1-4H3
InChIKeyRZBHZICXTQDTLO-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.63
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

19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
10,10-dibutylicosane
CID 151498539
6,6-dipentylundecane
CID 19690398
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466
9-(2-bromoethyl)-9-octylheptadecane
CID 141338192
7-butyl-7-ethyltetradecane
CID 174665936
4,4-dipentylnonan-1-amine
CID 88632324
4,4-dibutyldodecan-1-ol
CID 87374441
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190

Frequently Asked Questions

What is the IUPAC name of 8-hexyl-8-pentylhexadecane?
The IUPAC name of 8-hexyl-8-pentylhexadecane (CID 521602) is 8-hexyl-8-pentylhexadecane.
What is the SMILES notation for 8-hexyl-8-pentylhexadecane?
The canonical SMILES for 8-hexyl-8-pentylhexadecane is CCCCCCCCC(CCCCC)(CCCCCC)CCCCCCC.
What is the InChIKey of 8-hexyl-8-pentylhexadecane?
The InChIKey is RZBHZICXTQDTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-5-9-13-16-18-22-26-27(23-19-12-8-4,24-20-15-11-7-3)25-21-17-14-10-6-2/h5-26H2,1-4H3.
What are the key properties of 8-hexyl-8-pentylhexadecane?
8-hexyl-8-pentylhexadecane has a molecular weight of 380.75 g/mol, XLogP of 10.63, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-8-pentylhexadecane is sourced from PubChem (CID 521602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).