11,12-diethoxytetracos-5-ene

C28H56O2 — CID 54215876

IUPAC11,12-diethoxytetracos-5-ene
SMILESCCCCC=CCCCCC(OCC)C(CCCCCCCCCCCC)OCC
InChIInChI=1S/C28H56O2/c1-5-9-11-13-15-17-18-20-22-24-26-28(30-8-4)27(29-7-3)25-23-21-19-16-14-12-10-6-2/h14,16,27-28H,5-13,15,17-26H2,1-4H3
InChIKeyPZDIVKFZAAIYJS-UHFFFAOYSA-N
MW424.75 g/mol
LogP9.41
Rot. Bonds24

About 11,12-diethoxytetracos-5-ene

11,12-diethoxytetracos-5-ene (PubChem CID 54215876) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is 11,12-diethoxytetracos-5-ene.

Molecular Properties

Compound Name11,12-diethoxytetracos-5-ene
PubChem CID54215876
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Name11,12-diethoxytetracos-5-ene
SMILESCCCCC=CCCCCC(OCC)C(CCCCCCCCCCCC)OCC
InChIInChI=1S/C28H56O2/c1-5-9-11-13-15-17-18-20-22-24-26-28(30-8-4)27(29-7-3)25-23-21-19-16-14-12-10-6-2/h14,16,27-28H,5-13,15,17-26H2,1-4H3
InChIKeyPZDIVKFZAAIYJS-UHFFFAOYSA-N
XLogP9.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11,12-diethoxytetracos-5-ene?
The IUPAC name of 11,12-diethoxytetracos-5-ene (CID 54215876) is 11,12-diethoxytetracos-5-ene.
What is the SMILES notation for 11,12-diethoxytetracos-5-ene?
The canonical SMILES for 11,12-diethoxytetracos-5-ene is CCCCC=CCCCCC(OCC)C(CCCCCCCCCCCC)OCC.
What is the InChIKey of 11,12-diethoxytetracos-5-ene?
The InChIKey is PZDIVKFZAAIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2/c1-5-9-11-13-15-17-18-20-22-24-26-28(30-8-4)27(29-7-3)25-23-21-19-16-14-12-10-6-2/h14,16,27-28H,5-13,15,17-26H2,1-4H3.
What are the key properties of 11,12-diethoxytetracos-5-ene?
11,12-diethoxytetracos-5-ene has a molecular weight of 424.75 g/mol, XLogP of 9.41, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-diethoxytetracos-5-ene is sourced from PubChem (CID 54215876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).