(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene

C15H28O2 — CID 146004753

IUPAC(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene
SMILESCCOC(C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C15H28O2/c1-6-16-15(17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyBCYITJRDESVSTD-SDNWHVSQSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds9

About (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene

(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene (PubChem CID 146004753) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene
PubChem CID146004753
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene
SMILESCCOC(C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C15H28O2/c1-6-16-15(17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyBCYITJRDESVSTD-SDNWHVSQSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene (CID 146004753) is (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene is CCOC(C/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene?
The InChIKey is BCYITJRDESVSTD-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-16-15(17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+.
What are the key properties of (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene?
(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene has a molecular weight of 240.39 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 146004753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).