9-butyl-7-propylheptadecane

C24H50 — CID 91567761

IUPAC9-butyl-7-propylheptadecane
SMILESCCCCCCCCC(CCCC)CC(CCC)CCCCCC
InChIInChI=1S/C24H50/c1-5-9-12-14-15-17-21-24(19-11-7-3)22-23(18-8-4)20-16-13-10-6-2/h23-24H,5-22H2,1-4H3
InChIKeyUXOBUAIAVUHXJO-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.32
Rot. Bonds19

About 9-butyl-7-propylheptadecane

9-butyl-7-propylheptadecane (PubChem CID 91567761) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 9-butyl-7-propylheptadecane.

Molecular Properties

Compound Name9-butyl-7-propylheptadecane
PubChem CID91567761
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name9-butyl-7-propylheptadecane
SMILESCCCCCCCCC(CCCC)CC(CCC)CCCCCC
InChIInChI=1S/C24H50/c1-5-9-12-14-15-17-21-24(19-11-7-3)22-23(18-8-4)20-16-13-10-6-2/h23-24H,5-22H2,1-4H3
InChIKeyUXOBUAIAVUHXJO-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

7-butyl-9-propylhexadecane
CID 91502397
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-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189

Frequently Asked Questions

What is the IUPAC name of 9-butyl-7-propylheptadecane?
The IUPAC name of 9-butyl-7-propylheptadecane (CID 91567761) is 9-butyl-7-propylheptadecane.
What is the SMILES notation for 9-butyl-7-propylheptadecane?
The canonical SMILES for 9-butyl-7-propylheptadecane is CCCCCCCCC(CCCC)CC(CCC)CCCCCC.
What is the InChIKey of 9-butyl-7-propylheptadecane?
The InChIKey is UXOBUAIAVUHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-5-9-12-14-15-17-21-24(19-11-7-3)22-23(18-8-4)20-16-13-10-6-2/h23-24H,5-22H2,1-4H3.
What are the key properties of 9-butyl-7-propylheptadecane?
9-butyl-7-propylheptadecane 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 9-butyl-7-propylheptadecane is sourced from PubChem (CID 91567761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).