16-propylhexatriacontane

C39H80 — CID 91313942

IUPAC16-propylhexatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H80/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-38-39(36-6-3)37-34-32-30-28-26-24-18-16-14-12-10-8-5-2/h39H,4-38H2,1-3H3
InChIKeyFOIMYPVUZFYMIQ-UHFFFAOYSA-N
MW549.07 g/mol
LogP15.32
Rot. Bonds35

About 16-propylhexatriacontane

16-propylhexatriacontane (PubChem CID 91313942) has the molecular formula C39H80 and a molecular weight of 549.07 g/mol. Its IUPAC name is 16-propylhexatriacontane.

Molecular Properties

Compound Name16-propylhexatriacontane
PubChem CID91313942
Molecular FormulaC39H80
Molecular Weight549.07 g/mol
Exact Mass548.63
IUPAC Name16-propylhexatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H80/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-38-39(36-6-3)37-34-32-30-28-26-24-18-16-14-12-10-8-5-2/h39H,4-38H2,1-3H3
InChIKeyFOIMYPVUZFYMIQ-UHFFFAOYSA-N
XLogP15.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.07
LogP ≤ 515.32
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

13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
5-propylpentacosane
CID 91493421
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of 16-propylhexatriacontane?
The IUPAC name of 16-propylhexatriacontane (CID 91313942) is 16-propylhexatriacontane.
What is the SMILES notation for 16-propylhexatriacontane?
The canonical SMILES for 16-propylhexatriacontane is CCCCCCCCCCCCCCCCCCCCC(CCC)CCCCCCCCCCCCCCC.
What is the InChIKey of 16-propylhexatriacontane?
The InChIKey is FOIMYPVUZFYMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H80/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-38-39(36-6-3)37-34-32-30-28-26-24-18-16-14-12-10-8-5-2/h39H,4-38H2,1-3H3.
What are the key properties of 16-propylhexatriacontane?
16-propylhexatriacontane has a molecular weight of 549.07 g/mol, XLogP of 15.32, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-propylhexatriacontane is sourced from PubChem (CID 91313942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).