10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal

C26H46O5 — CID 162350265

IUPAC10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal
SMILESCCCOC(C=CCCCCCCC=O)OC(C=CCCCCCCC=O)OCCC
InChIInChI=1S/C26H46O5/c1-3-23-29-25(19-15-11-7-5-9-13-17-21-27)31-26(30-24-4-2)20-16-12-8-6-10-14-18-22-28/h15-16,19-22,25-26H,3-14,17-18,23-24H2,1-2H3
InChIKeyQAGDXOPZZCNMJV-UHFFFAOYSA-N
MW438.65 g/mol
LogP6.70
Rot. Bonds24

About 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal

10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal (PubChem CID 162350265) has the molecular formula C26H46O5 and a molecular weight of 438.65 g/mol. Its IUPAC name is 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal.

Molecular Properties

Compound Name10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal
PubChem CID162350265
Molecular FormulaC26H46O5
Molecular Weight438.65 g/mol
Exact Mass438.33
IUPAC Name10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal
SMILESCCCOC(C=CCCCCCCC=O)OC(C=CCCCCCCC=O)OCCC
InChIInChI=1S/C26H46O5/c1-3-23-29-25(19-15-11-7-5-9-13-17-21-27)31-26(30-24-4-2)20-16-12-8-6-10-14-18-22-28/h15-16,19-22,25-26H,3-14,17-18,23-24H2,1-2H3
InChIKeyQAGDXOPZZCNMJV-UHFFFAOYSA-N
XLogP6.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal?
The IUPAC name of 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal (CID 162350265) is 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal.
What is the SMILES notation for 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal?
The canonical SMILES for 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal is CCCOC(C=CCCCCCCC=O)OC(C=CCCCCCCC=O)OCCC.
What is the InChIKey of 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal?
The InChIKey is QAGDXOPZZCNMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O5/c1-3-23-29-25(19-15-11-7-5-9-13-17-21-27)31-26(30-24-4-2)20-16-12-8-6-10-14-18-22-28/h15-16,19-22,25-26H,3-14,17-18,23-24H2,1-2H3.
What are the key properties of 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal?
10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal has a molecular weight of 438.65 g/mol, XLogP of 6.70, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-oxo-1-propoxydec-2-enoxy)-10-propoxydec-8-enal is sourced from PubChem (CID 162350265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).