9-heptyl-11-octylnonadecane

C34H70 — CID 91326024

IUPAC9-heptyl-11-octylnonadecane
SMILESCCCCCCCCC(CCCCCCC)CC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H70/c1-5-9-13-17-21-25-29-33(28-24-20-16-12-8-4)32-34(30-26-22-18-14-10-6-2)31-27-23-19-15-11-7-3/h33-34H,5-32H2,1-4H3
InChIKeyDFZJOMQQTHFBFB-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.22
Rot. Bonds29

About 9-heptyl-11-octylnonadecane

9-heptyl-11-octylnonadecane (PubChem CID 91326024) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 9-heptyl-11-octylnonadecane.

Molecular Properties

Compound Name9-heptyl-11-octylnonadecane
PubChem CID91326024
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name9-heptyl-11-octylnonadecane
SMILESCCCCCCCCC(CCCCCCC)CC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H70/c1-5-9-13-17-21-25-29-33(28-24-20-16-12-8-4)32-34(30-26-22-18-14-10-6-2)31-27-23-19-15-11-7-3/h33-34H,5-32H2,1-4H3
InChIKeyDFZJOMQQTHFBFB-UHFFFAOYSA-N
XLogP13.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.22
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

11,13-didecyltricosane
CID 91473894
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
5,7-dibutylundecane;nonane
CID 159714693
9-ethyl-11-heptylnonadecane
CID 90975246
9-ethyl-7-pentylhexadecane
CID 91283125
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
8-pentyl-6,10-dipropylpentadecane
CID 58892246

Frequently Asked Questions

What is the IUPAC name of 9-heptyl-11-octylnonadecane?
The IUPAC name of 9-heptyl-11-octylnonadecane (CID 91326024) is 9-heptyl-11-octylnonadecane.
What is the SMILES notation for 9-heptyl-11-octylnonadecane?
The canonical SMILES for 9-heptyl-11-octylnonadecane is CCCCCCCCC(CCCCCCC)CC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 9-heptyl-11-octylnonadecane?
The InChIKey is DFZJOMQQTHFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-5-9-13-17-21-25-29-33(28-24-20-16-12-8-4)32-34(30-26-22-18-14-10-6-2)31-27-23-19-15-11-7-3/h33-34H,5-32H2,1-4H3.
What are the key properties of 9-heptyl-11-octylnonadecane?
9-heptyl-11-octylnonadecane has a molecular weight of 478.93 g/mol, XLogP of 13.22, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-heptyl-11-octylnonadecane is sourced from PubChem (CID 91326024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).