diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate

C19H34O5Si — CID 102597805

IUPACdiethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate
SMILESCCOC(=O)/C=C\CC(C/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-8-22-17(20)14-10-12-16(13-11-15-18(21)23-9-2)24-25(6,7)19(3,4)5/h10-11,14-16H,8-9,12-13H2,1-7H3/b14-10-,15-11-
InChIKeyVKOILVQXNRLMAM-HYQBVQLESA-N
MW370.56 g/mol
LogP4.40
Rot. Bonds10

About diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate

diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate (PubChem CID 102597805) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate.

Molecular Properties

Compound Namediethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate
PubChem CID102597805
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namediethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate
SMILESCCOC(=O)/C=C\CC(C/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-8-22-17(20)14-10-12-16(13-11-15-18(21)23-9-2)24-25(6,7)19(3,4)5/h10-11,14-16H,8-9,12-13H2,1-7H3/b14-10-,15-11-
InChIKeyVKOILVQXNRLMAM-HYQBVQLESA-N
XLogP4.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate?
The IUPAC name of diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate (CID 102597805) is diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate.
What is the SMILES notation for diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate?
The canonical SMILES for diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate is CCOC(=O)/C=C\CC(C/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate?
The InChIKey is VKOILVQXNRLMAM-HYQBVQLESA-N. The full InChI is InChI=1S/C19H34O5Si/c1-8-22-17(20)14-10-12-16(13-11-15-18(21)23-9-2)24-25(6,7)19(3,4)5/h10-11,14-16H,8-9,12-13H2,1-7H3/b14-10-,15-11-.
What are the key properties of diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate?
diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate has a molecular weight of 370.56 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate is sourced from PubChem (CID 102597805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).