4-propyl-8-propyltetradecane

C20H41- — CID 90717507

IUPAC4-propyl-8-propyltetradecane
SMILES[CH2-]CCC(CCC)CCCC(CCC)CCCCCC
InChIInChI=1S/C20H41/c1-5-9-10-11-16-20(15-8-4)18-12-17-19(13-6-2)14-7-3/h19-20H,2,5-18H2,1,3-4H3/q-1
InChIKeyZBHUZYFUBWVEBV-UHFFFAOYSA-N
MW281.55 g/mol
LogP7.57
Rot. Bonds15

About 4-propyl-8-propyltetradecane

4-propyl-8-propyltetradecane (PubChem CID 90717507) has the molecular formula C20H41- and a molecular weight of 281.55 g/mol. Its IUPAC name is 4-propyl-8-propyltetradecane.

Molecular Properties

Compound Name4-propyl-8-propyltetradecane
PubChem CID90717507
Molecular FormulaC20H41-
Molecular Weight281.55 g/mol
Exact Mass281.32
IUPAC Name4-propyl-8-propyltetradecane
SMILES[CH2-]CCC(CCC)CCCC(CCC)CCCCCC
InChIInChI=1S/C20H41/c1-5-9-10-11-16-20(15-8-4)18-12-17-19(13-6-2)14-7-3/h19-20H,2,5-18H2,1,3-4H3/q-1
InChIKeyZBHUZYFUBWVEBV-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.55
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
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

Frequently Asked Questions

What is the IUPAC name of 4-propyl-8-propyltetradecane?
The IUPAC name of 4-propyl-8-propyltetradecane (CID 90717507) is 4-propyl-8-propyltetradecane.
What is the SMILES notation for 4-propyl-8-propyltetradecane?
The canonical SMILES for 4-propyl-8-propyltetradecane is [CH2-]CCC(CCC)CCCC(CCC)CCCCCC.
What is the InChIKey of 4-propyl-8-propyltetradecane?
The InChIKey is ZBHUZYFUBWVEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41/c1-5-9-10-11-16-20(15-8-4)18-12-17-19(13-6-2)14-7-3/h19-20H,2,5-18H2,1,3-4H3/q-1.
What are the key properties of 4-propyl-8-propyltetradecane?
4-propyl-8-propyltetradecane has a molecular weight of 281.55 g/mol, XLogP of 7.57, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-8-propyltetradecane is sourced from PubChem (CID 90717507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).