(4R)-4-methyl-7-trimethylsilylhept-6-ynal

C11H20OSi — CID 11446914

IUPAC(4R)-4-methyl-7-trimethylsilylhept-6-ynal
SMILESC[C@@H](CC#C[Si](C)(C)C)CCC=O
InChIInChI=1S/C11H20OSi/c1-11(7-5-9-12)8-6-10-13(2,3)4/h9,11H,5,7-8H2,1-4H3/t11-/m1/s1
InChIKeyWCMYXLDFVBYZJC-LLVKDONJSA-N
MW196.37 g/mol
LogP2.87
Rot. Bonds4

About (4R)-4-methyl-7-trimethylsilylhept-6-ynal

(4R)-4-methyl-7-trimethylsilylhept-6-ynal (PubChem CID 11446914) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (4R)-4-methyl-7-trimethylsilylhept-6-ynal.

Molecular Properties

Compound Name(4R)-4-methyl-7-trimethylsilylhept-6-ynal
PubChem CID11446914
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(4R)-4-methyl-7-trimethylsilylhept-6-ynal
SMILESC[C@@H](CC#C[Si](C)(C)C)CCC=O
InChIInChI=1S/C11H20OSi/c1-11(7-5-9-12)8-6-10-13(2,3)4/h9,11H,5,7-8H2,1-4H3/t11-/m1/s1
InChIKeyWCMYXLDFVBYZJC-LLVKDONJSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.87
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Trimethylsilylmethyl)hexanal
CID 14527625
8-Trimethylsilyloct-6-ynal
CID 10512108
(3S)-3-methyl-6-trimethylsilylhex-5-ynal
CID 11513871
2-[[Tert-butyl(dimethyl)silyl]methyl]hexanal
CID 14527626
2,2-Dimethyl-7-trimethylsilylhept-6-ynal
CID 15701258
cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
CID 130883505
(3S)-3-methyldodeca-6,10-diynal
CID 134861085
cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
CID 134995405
7-[Tert-butyl(dimethyl)silyl]hept-6-ynal
CID 162417595
1-[2-[Tert-butyl(dimethyl)silyl]ethynyl]cyclopentane-1-carbaldehyde
CID 176428671
2-[2-Tri(propan-2-yl)silylethynyl]heptanal
CID 177856116
7-(Trimethylsilyl)hept-6-ynal
CID 14809950

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-7-trimethylsilylhept-6-ynal?
The IUPAC name of (4R)-4-methyl-7-trimethylsilylhept-6-ynal (CID 11446914) is (4R)-4-methyl-7-trimethylsilylhept-6-ynal.
What is the SMILES notation for (4R)-4-methyl-7-trimethylsilylhept-6-ynal?
The canonical SMILES for (4R)-4-methyl-7-trimethylsilylhept-6-ynal is C[C@@H](CC#C[Si](C)(C)C)CCC=O.
What is the InChIKey of (4R)-4-methyl-7-trimethylsilylhept-6-ynal?
The InChIKey is WCMYXLDFVBYZJC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(7-5-9-12)8-6-10-13(2,3)4/h9,11H,5,7-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (4R)-4-methyl-7-trimethylsilylhept-6-ynal?
(4R)-4-methyl-7-trimethylsilylhept-6-ynal has a molecular weight of 196.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-7-trimethylsilylhept-6-ynal is sourced from PubChem (CID 11446914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).