9-ethyl-11-heptylnonadecane

C28H58 — CID 90975246

IUPAC9-ethyl-11-heptylnonadecane
SMILESCCCCCCCCC(CC)CC(CCCCCCC)CCCCCCCC
InChIInChI=1S/C28H58/c1-5-9-12-15-18-20-23-27(8-4)26-28(24-21-17-14-11-7-3)25-22-19-16-13-10-6-2/h27-28H,5-26H2,1-4H3
InChIKeyHWFGVEAIUPNJNX-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.88
Rot. Bonds23

About 9-ethyl-11-heptylnonadecane

9-ethyl-11-heptylnonadecane (PubChem CID 90975246) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 9-ethyl-11-heptylnonadecane.

Molecular Properties

Compound Name9-ethyl-11-heptylnonadecane
PubChem CID90975246
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name9-ethyl-11-heptylnonadecane
SMILESCCCCCCCCC(CC)CC(CCCCCCC)CCCCCCCC
InChIInChI=1S/C28H58/c1-5-9-12-15-18-20-23-27(8-4)26-28(24-21-17-14-11-7-3)25-22-19-16-13-10-6-2/h27-28H,5-26H2,1-4H3
InChIKeyHWFGVEAIUPNJNX-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.88
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-7-pentylhexadecane
CID 91283125
4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
8-butyl-10-pentylheptadecane
CID 91542009
5,7-dibutyltridecane
CID 14297331
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-11-heptylnonadecane?
The IUPAC name of 9-ethyl-11-heptylnonadecane (CID 90975246) is 9-ethyl-11-heptylnonadecane.
What is the SMILES notation for 9-ethyl-11-heptylnonadecane?
The canonical SMILES for 9-ethyl-11-heptylnonadecane is CCCCCCCCC(CC)CC(CCCCCCC)CCCCCCCC.
What is the InChIKey of 9-ethyl-11-heptylnonadecane?
The InChIKey is HWFGVEAIUPNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-5-9-12-15-18-20-23-27(8-4)26-28(24-21-17-14-11-7-3)25-22-19-16-13-10-6-2/h27-28H,5-26H2,1-4H3.
What are the key properties of 9-ethyl-11-heptylnonadecane?
9-ethyl-11-heptylnonadecane has a molecular weight of 394.77 g/mol, XLogP of 10.88, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-11-heptylnonadecane is sourced from PubChem (CID 90975246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).