7-butyl-9-propylhexadecane

C23H48 — CID 91502397

IUPAC7-butyl-9-propylhexadecane
SMILESCCCCCCCC(CCC)CC(CCCC)CCCCCC
InChIInChI=1S/C23H48/c1-5-9-12-14-16-19-22(17-8-4)21-23(18-11-7-3)20-15-13-10-6-2/h22-23H,5-21H2,1-4H3
InChIKeyXCYHSEACAIZYSS-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.93
Rot. Bonds18

About 7-butyl-9-propylhexadecane

7-butyl-9-propylhexadecane (PubChem CID 91502397) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 7-butyl-9-propylhexadecane.

Molecular Properties

Compound Name7-butyl-9-propylhexadecane
PubChem CID91502397
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name7-butyl-9-propylhexadecane
SMILESCCCCCCCC(CCC)CC(CCCC)CCCCCC
InChIInChI=1S/C23H48/c1-5-9-12-14-16-19-22(17-8-4)21-23(18-11-7-3)20-15-13-10-6-2/h22-23H,5-21H2,1-4H3
InChIKeyXCYHSEACAIZYSS-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.93
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-butyl-7-propylheptadecane
CID 91567761
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
8-pentyl-6,10-dipropylpentadecane
CID 58892246
9-heptyl-11-octylnonadecane
CID 91326024
5,7-dibutylundecane;nonane
CID 159714693
11,13-didecyltricosane
CID 91473894
4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634

Frequently Asked Questions

What is the IUPAC name of 7-butyl-9-propylhexadecane?
The IUPAC name of 7-butyl-9-propylhexadecane (CID 91502397) is 7-butyl-9-propylhexadecane.
What is the SMILES notation for 7-butyl-9-propylhexadecane?
The canonical SMILES for 7-butyl-9-propylhexadecane is CCCCCCCC(CCC)CC(CCCC)CCCCCC.
What is the InChIKey of 7-butyl-9-propylhexadecane?
The InChIKey is XCYHSEACAIZYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-5-9-12-14-16-19-22(17-8-4)21-23(18-11-7-3)20-15-13-10-6-2/h22-23H,5-21H2,1-4H3.
What are the key properties of 7-butyl-9-propylhexadecane?
7-butyl-9-propylhexadecane has a molecular weight of 324.64 g/mol, XLogP of 8.93, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-9-propylhexadecane is sourced from PubChem (CID 91502397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).