(2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal

C13H24OSi — CID 134879384

IUPAC(2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal
SMILESC/C(C=O)=C\C(C)(C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-12(11-14)10-13(2,3)8-7-9-15(4,5)6/h7,9-11H,8H2,1-6H3/b9-7+,12-10+
InChIKeyQOKQDBDLDPEAMJ-LKJUMTHSSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds5

About (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal

(2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal (PubChem CID 134879384) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal
PubChem CID134879384
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal
SMILESC/C(C=O)=C\C(C)(C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-12(11-14)10-13(2,3)8-7-9-15(4,5)6/h7,9-11H,8H2,1-6H3/b9-7+,12-10+
InChIKeyQOKQDBDLDPEAMJ-LKJUMTHSSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal?
The IUPAC name of (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal (CID 134879384) is (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal.
What is the SMILES notation for (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal?
The canonical SMILES for (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal is C/C(C=O)=C\C(C)(C)C/C=C/[Si](C)(C)C.
What is the InChIKey of (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal?
The InChIKey is QOKQDBDLDPEAMJ-LKJUMTHSSA-N. The full InChI is InChI=1S/C13H24OSi/c1-12(11-14)10-13(2,3)8-7-9-15(4,5)6/h7,9-11H,8H2,1-6H3/b9-7+,12-10+.
What are the key properties of (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal?
(2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal has a molecular weight of 224.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,4,4-trimethyl-7-trimethylsilylhepta-2,6-dienal is sourced from PubChem (CID 134879384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).