ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate

C21H44O3Si2 — CID 71484677

IUPACethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate
SMILESCCCCCCC(O[Si](CC)(CC)CC)/C(=C/[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C21H44O3Si2/c1-9-14-15-16-17-20(24-26(11-3,12-4)13-5)19(18-25(6,7)8)21(22)23-10-2/h18,20H,9-17H2,1-8H3/b19-18-
InChIKeyLYJOEJAMMYQXST-HNENSFHCSA-N
MW400.75 g/mol
LogP6.71
Rot. Bonds14

About ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate

ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate (PubChem CID 71484677) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate.

Molecular Properties

Compound Nameethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate
PubChem CID71484677
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Nameethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate
SMILESCCCCCCC(O[Si](CC)(CC)CC)/C(=C/[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C21H44O3Si2/c1-9-14-15-16-17-20(24-26(11-3,12-4)13-5)19(18-25(6,7)8)21(22)23-10-2/h18,20H,9-17H2,1-8H3/b19-18-
InChIKeyLYJOEJAMMYQXST-HNENSFHCSA-N
XLogP6.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl methoxy methylenestearate
CID 129728387
methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
CID 134901734
methyl 2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
CID 134902088
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
(z)-2-(Tetrahydrofuran-2-yl)-1-(triisopropylsilyl)tetradec-1-en-3-one
CID 171037561
15-Isopropenyl-3-(trimethylsilyl)oxacyclopentadecan-2-one
CID 552374
ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate
CID 10381636
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
CID 10431005
Ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 15254806
3-Dimethylsilylpropyl 2-(2-trimethylsilyloxan-2-yl)prop-2-enoate
CID 123992182
[(1S)-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-oxocyclopent-2-en-1-yl] acetate
CID 139675790

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate?
The IUPAC name of ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate (CID 71484677) is ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate.
What is the SMILES notation for ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate?
The canonical SMILES for ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate is CCCCCCC(O[Si](CC)(CC)CC)/C(=C/[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate?
The InChIKey is LYJOEJAMMYQXST-HNENSFHCSA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-9-14-15-16-17-20(24-26(11-3,12-4)13-5)19(18-25(6,7)8)21(22)23-10-2/h18,20H,9-17H2,1-8H3/b19-18-.
What are the key properties of ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate?
ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate has a molecular weight of 400.75 g/mol, XLogP of 6.71, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate is sourced from PubChem (CID 71484677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).