9-hexyl-7-propylheptadecane

C26H54 — CID 91243882

IUPAC9-hexyl-7-propylheptadecane
SMILESCCCCCCCCC(CCCCCC)CC(CCC)CCCCCC
InChIInChI=1S/C26H54/c1-5-9-12-15-16-19-23-26(22-18-14-11-7-3)24-25(20-8-4)21-17-13-10-6-2/h25-26H,5-24H2,1-4H3
InChIKeyWRUSZDPDPYOUAI-UHFFFAOYSA-N
MW366.72 g/mol
LogP10.10
Rot. Bonds21

About 9-hexyl-7-propylheptadecane

9-hexyl-7-propylheptadecane (PubChem CID 91243882) has the molecular formula C26H54 and a molecular weight of 366.72 g/mol. Its IUPAC name is 9-hexyl-7-propylheptadecane.

Molecular Properties

Compound Name9-hexyl-7-propylheptadecane
PubChem CID91243882
Molecular FormulaC26H54
Molecular Weight366.72 g/mol
Exact Mass366.42
IUPAC Name9-hexyl-7-propylheptadecane
SMILESCCCCCCCCC(CCCCCC)CC(CCC)CCCCCC
InChIInChI=1S/C26H54/c1-5-9-12-15-16-19-23-26(22-18-14-11-7-3)24-25(20-8-4)21-17-13-10-6-2/h25-26H,5-24H2,1-4H3
InChIKeyWRUSZDPDPYOUAI-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 510.10
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

7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
8-pentyl-6,10-dipropylpentadecane
CID 58892246
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-6-propyltetradecane
CID 91553020
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009

Frequently Asked Questions

What is the IUPAC name of 9-hexyl-7-propylheptadecane?
The IUPAC name of 9-hexyl-7-propylheptadecane (CID 91243882) is 9-hexyl-7-propylheptadecane.
What is the SMILES notation for 9-hexyl-7-propylheptadecane?
The canonical SMILES for 9-hexyl-7-propylheptadecane is CCCCCCCCC(CCCCCC)CC(CCC)CCCCCC.
What is the InChIKey of 9-hexyl-7-propylheptadecane?
The InChIKey is WRUSZDPDPYOUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54/c1-5-9-12-15-16-19-23-26(22-18-14-11-7-3)24-25(20-8-4)21-17-13-10-6-2/h25-26H,5-24H2,1-4H3.
What are the key properties of 9-hexyl-7-propylheptadecane?
9-hexyl-7-propylheptadecane has a molecular weight of 366.72 g/mol, XLogP of 10.10, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexyl-7-propylheptadecane is sourced from PubChem (CID 91243882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).