dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate

C26H48O6Si2 — CID 102012983

IUPACdimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate
SMILESC=C(C(=O)OC)C(C/C=C/CC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O6Si2/c1-19(23(27)29-9)21(31-33(11,12)25(3,4)5)17-15-16-18-22(20(2)24(28)30-10)32-34(13,14)26(6,7)8/h15-16,21-22H,1-2,17-18H2,3-14H3/b16-15+
InChIKeyLAYSUQKFOAHIEW-FOCLMDBBSA-N
MW512.84 g/mol
LogP6.56
Rot. Bonds12

About dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate

dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate (PubChem CID 102012983) has the molecular formula C26H48O6Si2 and a molecular weight of 512.84 g/mol. Its IUPAC name is dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate.

Molecular Properties

Compound Namedimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate
PubChem CID102012983
Molecular FormulaC26H48O6Si2
Molecular Weight512.84 g/mol
Exact Mass512.30
IUPAC Namedimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate
SMILESC=C(C(=O)OC)C(C/C=C/CC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O6Si2/c1-19(23(27)29-9)21(31-33(11,12)25(3,4)5)17-15-16-18-22(20(2)24(28)30-10)32-34(13,14)26(6,7)8/h15-16,21-22H,1-2,17-18H2,3-14H3/b16-15+
InChIKeyLAYSUQKFOAHIEW-FOCLMDBBSA-N
XLogP6.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.84
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate?
The IUPAC name of dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate (CID 102012983) is dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate.
What is the SMILES notation for dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate?
The canonical SMILES for dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate is C=C(C(=O)OC)C(C/C=C/CC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate?
The InChIKey is LAYSUQKFOAHIEW-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H48O6Si2/c1-19(23(27)29-9)21(31-33(11,12)25(3,4)5)17-15-16-18-22(20(2)24(28)30-10)32-34(13,14)26(6,7)8/h15-16,21-22H,1-2,17-18H2,3-14H3/b16-15+.
What are the key properties of dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate?
dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate has a molecular weight of 512.84 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,9-dimethylidenedec-5-enedioate is sourced from PubChem (CID 102012983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).