(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne

C15H24O2 — CID 134854538

IUPAC(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne
SMILESCCOC(C/C=C(\C)C#CC=C(C)C)OCC
InChIInChI=1S/C15H24O2/c1-6-16-15(17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-7,12H2,1-5H3/b14-11+
InChIKeyDTIMTKDWPRDKRE-SDNWHVSQSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds6

About (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne

(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne (PubChem CID 134854538) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne.

Molecular Properties

Compound Name(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne
PubChem CID134854538
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne
SMILESCCOC(C/C=C(\C)C#CC=C(C)C)OCC
InChIInChI=1S/C15H24O2/c1-6-16-15(17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-7,12H2,1-5H3/b14-11+
InChIKeyDTIMTKDWPRDKRE-SDNWHVSQSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
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': 'triple_bond', '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-dien-4-yne?
The IUPAC name of (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne (CID 134854538) is (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne.
What is the SMILES notation for (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne?
The canonical SMILES for (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne is CCOC(C/C=C(\C)C#CC=C(C)C)OCC.
What is the InChIKey of (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne?
The InChIKey is DTIMTKDWPRDKRE-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-16-15(17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-7,12H2,1-5H3/b14-11+.
What are the key properties of (6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne?
(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-dien-4-yne has a molecular weight of 236.35 g/mol, XLogP of 3.69, 6 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-dien-4-yne is sourced from PubChem (CID 134854538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).