4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene

C24H46O — CID 87163988

IUPAC4-propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene
SMILESCCCCCC(CCC)CC(=C)OC(=C)CC(CCC)CCCCC
InChIInChI=1S/C24H46O/c1-7-11-13-17-23(15-9-3)19-21(5)25-22(6)20-24(16-10-4)18-14-12-8-2/h23-24H,5-20H2,1-4H3
InChIKeyIHIWCUHQTQUNBZ-UHFFFAOYSA-N
MW350.60 g/mol
LogP11.00
Rot. Bonds18

About 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene

4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene (PubChem CID 87163988) has the molecular formula C24H46O and a molecular weight of 350.60 g/mol. Its IUPAC name is 4-propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene.

Molecular Properties

Compound Name4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene
PubChem CID87163988
Molecular FormulaC24H46O
Molecular Weight350.60 g/mol
Exact Mass350.35
IUPAC Name4-propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene
SMILESCCCCCC(CCC)CC(=C)OC(=C)CC(CCC)CCCCC
InChIInChI=1S/C24H46O/c1-7-11-13-17-23(15-9-3)19-21(5)25-22(6)20-24(16-10-4)18-14-12-8-2/h23-24H,5-20H2,1-4H3
InChIKeyIHIWCUHQTQUNBZ-UHFFFAOYSA-N
XLogP11.00
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity299

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.60
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene?
The IUPAC name of 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene (CID 87163988) is 4-propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene.
What is the SMILES notation for 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene?
The canonical SMILES for 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene is CCCCCC(CCC)CC(=C)OC(=C)CC(CCC)CCCCC.
What is the InChIKey of 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene?
The InChIKey is IHIWCUHQTQUNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-7-11-13-17-23(15-9-3)19-21(5)25-22(6)20-24(16-10-4)18-14-12-8-2/h23-24H,5-20H2,1-4H3.
What are the key properties of 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene?
4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene has a molecular weight of 350.60 g/mol, XLogP of 11.00, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene is sourced from PubChem (CID 87163988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).