8,9-dibutylhexadecane

C24H50 — CID 530025

IUPAC8,9-dibutylhexadecane
SMILESCCCCCCCC(CCCC)C(CCCC)CCCCCCC
InChIInChI=1S/C24H50/c1-5-9-13-15-17-21-23(19-11-7-3)24(20-12-8-4)22-18-16-14-10-6-2/h23-24H,5-22H2,1-4H3
InChIKeyZTKGWYHUQJSRJN-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.32
Rot. Bonds19

About 8,9-dibutylhexadecane

8,9-dibutylhexadecane (PubChem CID 530025) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 8,9-dibutylhexadecane.

Molecular Properties

Compound Name8,9-dibutylhexadecane
PubChem CID530025
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name8,9-dibutylhexadecane
SMILESCCCCCCCC(CCCC)C(CCCC)CCCCCCC
InChIInChI=1S/C24H50/c1-5-9-13-15-17-21-23(19-11-7-3)24(20-12-8-4)22-18-16-14-10-6-2/h23-24H,5-22H2,1-4H3
InChIKeyZTKGWYHUQJSRJN-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.32
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

9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
5-butyl-6-ethyldodecane
CID 529932
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
6,7-dipropyldodecane
CID 529940
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
11-octadecan-9-yl-10,12-dioctylhenicosane
CID 91046537

Frequently Asked Questions

What is the IUPAC name of 8,9-dibutylhexadecane?
The IUPAC name of 8,9-dibutylhexadecane (CID 530025) is 8,9-dibutylhexadecane.
What is the SMILES notation for 8,9-dibutylhexadecane?
The canonical SMILES for 8,9-dibutylhexadecane is CCCCCCCC(CCCC)C(CCCC)CCCCCCC.
What is the InChIKey of 8,9-dibutylhexadecane?
The InChIKey is ZTKGWYHUQJSRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-5-9-13-15-17-21-23(19-11-7-3)24(20-12-8-4)22-18-16-14-10-6-2/h23-24H,5-22H2,1-4H3.
What are the key properties of 8,9-dibutylhexadecane?
8,9-dibutylhexadecane has a molecular weight of 338.66 g/mol, XLogP of 9.32, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dibutylhexadecane is sourced from PubChem (CID 530025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).