8-heptyl-10-propyloctadecane

C28H58 — CID 90802423

IUPAC8-heptyl-10-propyloctadecane
SMILESCCCCCCCCC(CCC)CC(CCCCCCC)CCCCCCC
InChIInChI=1S/C28H58/c1-5-9-12-15-18-21-23-27(22-8-4)26-28(24-19-16-13-10-6-2)25-20-17-14-11-7-3/h27-28H,5-26H2,1-4H3
InChIKeyLQJFTEWIEXUFIL-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.88
Rot. Bonds23

About 8-heptyl-10-propyloctadecane

8-heptyl-10-propyloctadecane (PubChem CID 90802423) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 8-heptyl-10-propyloctadecane.

Molecular Properties

Compound Name8-heptyl-10-propyloctadecane
PubChem CID90802423
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name8-heptyl-10-propyloctadecane
SMILESCCCCCCCCC(CCC)CC(CCCCCCC)CCCCCCC
InChIInChI=1S/C28H58/c1-5-9-12-15-18-21-23-27(22-8-4)26-28(24-19-16-13-10-6-2)25-20-17-14-11-7-3/h27-28H,5-26H2,1-4H3
InChIKeyLQJFTEWIEXUFIL-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

7,9-dipropylhexadecane
CID 91047634
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 8-heptyl-10-propyloctadecane?
The IUPAC name of 8-heptyl-10-propyloctadecane (CID 90802423) is 8-heptyl-10-propyloctadecane.
What is the SMILES notation for 8-heptyl-10-propyloctadecane?
The canonical SMILES for 8-heptyl-10-propyloctadecane is CCCCCCCCC(CCC)CC(CCCCCCC)CCCCCCC.
What is the InChIKey of 8-heptyl-10-propyloctadecane?
The InChIKey is LQJFTEWIEXUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-5-9-12-15-18-21-23-27(22-8-4)26-28(24-19-16-13-10-6-2)25-20-17-14-11-7-3/h27-28H,5-26H2,1-4H3.
What are the key properties of 8-heptyl-10-propyloctadecane?
8-heptyl-10-propyloctadecane 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 8-heptyl-10-propyloctadecane is sourced from PubChem (CID 90802423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).