7,9-dipropylhexadecane

C22H46 — CID 91047634

IUPAC7,9-dipropylhexadecane
SMILESCCCCCCCC(CCC)CC(CCC)CCCCCC
InChIInChI=1S/C22H46/c1-5-9-11-13-15-19-22(17-8-4)20-21(16-7-3)18-14-12-10-6-2/h21-22H,5-20H2,1-4H3
InChIKeyQLEBQHQILNEQLS-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.54
Rot. Bonds17

About 7,9-dipropylhexadecane

7,9-dipropylhexadecane (PubChem CID 91047634) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 7,9-dipropylhexadecane.

Molecular Properties

Compound Name7,9-dipropylhexadecane
PubChem CID91047634
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name7,9-dipropylhexadecane
SMILESCCCCCCCC(CCC)CC(CCC)CCCCCC
InChIInChI=1S/C22H46/c1-5-9-11-13-15-19-22(17-8-4)20-21(16-7-3)18-14-12-10-6-2/h21-22H,5-20H2,1-4H3
InChIKeyQLEBQHQILNEQLS-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.54
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

8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
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 7,9-dipropylhexadecane?
The IUPAC name of 7,9-dipropylhexadecane (CID 91047634) is 7,9-dipropylhexadecane.
What is the SMILES notation for 7,9-dipropylhexadecane?
The canonical SMILES for 7,9-dipropylhexadecane is CCCCCCCC(CCC)CC(CCC)CCCCCC.
What is the InChIKey of 7,9-dipropylhexadecane?
The InChIKey is QLEBQHQILNEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-5-9-11-13-15-19-22(17-8-4)20-21(16-7-3)18-14-12-10-6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 7,9-dipropylhexadecane?
7,9-dipropylhexadecane has a molecular weight of 310.61 g/mol, XLogP of 8.54, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dipropylhexadecane is sourced from PubChem (CID 91047634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).