diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate

C19H30O4Si — CID 134947378

IUPACdiethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate
SMILESC=C=C[C@H](CCCC#C[Si](C)(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H30O4Si/c1-7-13-16(14-11-10-12-15-24(4,5)6)17(18(20)22-8-2)19(21)23-9-3/h13,16-17H,1,8-11,14H2,2-6H3/t16-/m1/s1
InChIKeyGMJUUDVMSDIFJP-MRXNPFEDSA-N
MW350.53 g/mol
LogP3.74
Rot. Bonds9

About diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate

diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate (PubChem CID 134947378) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate
PubChem CID134947378
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Namediethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate
SMILESC=C=C[C@H](CCCC#C[Si](C)(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H30O4Si/c1-7-13-16(14-11-10-12-15-24(4,5)6)17(18(20)22-8-2)19(21)23-9-3/h13,16-17H,1,8-11,14H2,2-6H3/t16-/m1/s1
InChIKeyGMJUUDVMSDIFJP-MRXNPFEDSA-N
XLogP3.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
dimethyl 2-[(E)-1-trimethylsilyloct-1-en-3-yl]propanedioate
CID 134900427
diethyl 2-[(4S)-octa-1,2-dien-4-yl]propanedioate
CID 134947375
dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate
CID 11278264
diethyl 2-[(5S,6R)-6-methyl-8-trimethylsilyloct-7-yn-5-yl]propanedioate
CID 11739725
Diethyl 2-[4-(trimethylsilylmethyl)pent-4-enyl]propanedioate
CID 21580350
Diethyl 2-dodec-11-en-5-ynylpropanedioate
CID 49766266
Diethyl 2-nona-1,2-dien-4-ylpropanedioate
CID 101144145
diethyl 2-[(2S,3R)-3-(2-trimethylsilylethynyl)heptan-2-yl]propanedioate
CID 102303647
diethyl 2-[(4S)-deca-1,2-dien-4-yl]propanedioate
CID 102310175
diethyl 2-[(4S)-nona-1,2-dien-4-yl]propanedioate
CID 102310179
diethyl 2-[(2S,3R)-3-(2-trimethylsilylethynyl)-7-tri(propan-2-yl)silylhept-6-yn-2-yl]propanedioate
CID 102384091

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate?
The IUPAC name of diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate (CID 134947378) is diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate?
The canonical SMILES for diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate is C=C=C[C@H](CCCC#C[Si](C)(C)C)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate?
The InChIKey is GMJUUDVMSDIFJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-7-13-16(14-11-10-12-15-24(4,5)6)17(18(20)22-8-2)19(21)23-9-3/h13,16-17H,1,8-11,14H2,2-6H3/t16-/m1/s1.
What are the key properties of diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate?
diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate has a molecular weight of 350.53 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate is sourced from PubChem (CID 134947378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).