9-ethyl-7-pentylhexadecane

C23H48 — CID 91283125

IUPAC9-ethyl-7-pentylhexadecane
SMILESCCCCCCCC(CC)CC(CCCCC)CCCCCC
InChIInChI=1S/C23H48/c1-5-9-12-14-17-18-22(8-4)21-23(19-15-11-7-3)20-16-13-10-6-2/h22-23H,5-21H2,1-4H3
InChIKeyCITFJWXXFZWMGA-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.93
Rot. Bonds18

About 9-ethyl-7-pentylhexadecane

9-ethyl-7-pentylhexadecane (PubChem CID 91283125) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 9-ethyl-7-pentylhexadecane.

Molecular Properties

Compound Name9-ethyl-7-pentylhexadecane
PubChem CID91283125
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name9-ethyl-7-pentylhexadecane
SMILESCCCCCCCC(CC)CC(CCCCC)CCCCCC
InChIInChI=1S/C23H48/c1-5-9-12-14-17-18-22(8-4)21-23(19-15-11-7-3)20-16-13-10-6-2/h22-23H,5-21H2,1-4H3
InChIKeyCITFJWXXFZWMGA-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-ethyl-11-heptylnonadecane
CID 90975246
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-6-propyltetradecane
CID 91553020
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
5,8,10-triethylpentadecane
CID 123791231
8-heptyl-10-propyloctadecane
CID 90802423
7,9-dipropylhexadecane
CID 91047634
9-hexyl-7-propylheptadecane
CID 91243882

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-pentylhexadecane?
The IUPAC name of 9-ethyl-7-pentylhexadecane (CID 91283125) is 9-ethyl-7-pentylhexadecane.
What is the SMILES notation for 9-ethyl-7-pentylhexadecane?
The canonical SMILES for 9-ethyl-7-pentylhexadecane is CCCCCCCC(CC)CC(CCCCC)CCCCCC.
What is the InChIKey of 9-ethyl-7-pentylhexadecane?
The InChIKey is CITFJWXXFZWMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-5-9-12-14-17-18-22(8-4)21-23(19-15-11-7-3)20-16-13-10-6-2/h22-23H,5-21H2,1-4H3.
What are the key properties of 9-ethyl-7-pentylhexadecane?
9-ethyl-7-pentylhexadecane 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 9-ethyl-7-pentylhexadecane is sourced from PubChem (CID 91283125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).