(2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal

C15H22O3 — CID 11128737

IUPAC(2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal
SMILESCCOC(C/C=C/C=C/C=C/C=C/C=O)OCC
InChIInChI=1S/C15H22O3/c1-3-17-15(18-4-2)13-11-9-7-5-6-8-10-12-14-16/h5-12,14-15H,3-4,13H2,1-2H3/b7-5+,8-6+,11-9+,12-10+
InChIKeyBYNDKUKYTAKHHS-HCNIIHBUSA-N
MW250.34 g/mol
LogP3.20
Rot. Bonds10

About (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal

(2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal (PubChem CID 11128737) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal
PubChem CID11128737
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal
SMILESCCOC(C/C=C/C=C/C=C/C=C/C=O)OCC
InChIInChI=1S/C15H22O3/c1-3-17-15(18-4-2)13-11-9-7-5-6-8-10-12-14-16/h5-12,14-15H,3-4,13H2,1-2H3/b7-5+,8-6+,11-9+,12-10+
InChIKeyBYNDKUKYTAKHHS-HCNIIHBUSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal?
The IUPAC name of (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal (CID 11128737) is (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal is CCOC(C/C=C/C=C/C=C/C=C/C=O)OCC.
What is the InChIKey of (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal?
The InChIKey is BYNDKUKYTAKHHS-HCNIIHBUSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-17-15(18-4-2)13-11-9-7-5-6-8-10-12-14-16/h5-12,14-15H,3-4,13H2,1-2H3/b7-5+,8-6+,11-9+,12-10+.
What are the key properties of (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal?
(2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal has a molecular weight of 250.34 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-11,11-diethoxyundeca-2,4,6,8-tetraenal is sourced from PubChem (CID 11128737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).