(E)-9-trimethylsilylnon-2-en-6,8-diynal

C12H16OSi — CID 58512617

IUPAC(E)-9-trimethylsilylnon-2-en-6,8-diynal
SMILESC[Si](C)(C)C#CC#CCC/C=C/C=O
InChIInChI=1S/C12H16OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h7,9,11H,4-5H2,1-3H3/b9-7+
InChIKeyLXECAQSBJQXKQT-VQHVLOKHSA-N
MW204.34 g/mol
LogP2.41
Rot. Bonds3

About (E)-9-trimethylsilylnon-2-en-6,8-diynal

(E)-9-trimethylsilylnon-2-en-6,8-diynal (PubChem CID 58512617) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is (E)-9-trimethylsilylnon-2-en-6,8-diynal.

Molecular Properties

Compound Name(E)-9-trimethylsilylnon-2-en-6,8-diynal
PubChem CID58512617
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name(E)-9-trimethylsilylnon-2-en-6,8-diynal
SMILESC[Si](C)(C)C#CC#CCC/C=C/C=O
InChIInChI=1S/C12H16OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h7,9,11H,4-5H2,1-3H3/b9-7+
InChIKeyLXECAQSBJQXKQT-VQHVLOKHSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-trimethylsilylhept-4-en-6-ynal
CID 10932038
(Z)-7-trimethylsilylhept-4-en-6-ynal
CID 14223814
1,1-dimethyl-3,4-dihydro-2H-siline-6-carbaldehyde
CID 134987784
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-2-en-6-ynal
CID 138967824
(E)-2-methyl-7-trimethylsilylhept-2-en-6-ynal
CID 133616017
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
(Z)-6-trimethylsilylhex-2-enal
CID 57543379
9-Trimethylsilylnon-2-en-6,8-diynal
CID 76808617
Oct-2-en-6-ynal
CID 174517125
(Z)-3-trimethylsilylhept-2-enal
CID 11019552
(E)-5-tri(propan-2-yl)silylpent-2-en-4-ynal
CID 11345394
(Z)-2-prop-2-enyl-5-trimethylsilylpent-2-en-4-ynal
CID 11401288

Frequently Asked Questions

What is the IUPAC name of (E)-9-trimethylsilylnon-2-en-6,8-diynal?
The IUPAC name of (E)-9-trimethylsilylnon-2-en-6,8-diynal (CID 58512617) is (E)-9-trimethylsilylnon-2-en-6,8-diynal.
What is the SMILES notation for (E)-9-trimethylsilylnon-2-en-6,8-diynal?
The canonical SMILES for (E)-9-trimethylsilylnon-2-en-6,8-diynal is C[Si](C)(C)C#CC#CCC/C=C/C=O.
What is the InChIKey of (E)-9-trimethylsilylnon-2-en-6,8-diynal?
The InChIKey is LXECAQSBJQXKQT-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h7,9,11H,4-5H2,1-3H3/b9-7+.
What are the key properties of (E)-9-trimethylsilylnon-2-en-6,8-diynal?
(E)-9-trimethylsilylnon-2-en-6,8-diynal has a molecular weight of 204.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-trimethylsilylnon-2-en-6,8-diynal is sourced from PubChem (CID 58512617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).