tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane

C41H66O4Si2 — CID 42604725

IUPACtert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane
SMILESC=C(C[C@@H](COC1CCCCO1)O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H66O4Si2/c1-32(27-33(2)30-44-47(41(8,9)10,37-21-15-13-16-22-37)38-23-17-14-18-24-38)28-34(3)35(4)29-36(45-46(11,12)40(5,6)7)31-43-39-25-19-20-26-42-39/h13-18,21-24,28,32-33,36,39H,4,19-20,25-27,29-31H2,1-3,5-12H3/b34-28+/t32-,33-,36+,39?/m1/s1
InChIKeyIIRCLPNVXRCJQY-IJYQXOIYSA-N
MW679.15 g/mol
LogP10.05
Rot. Bonds16

About tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane

tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane (PubChem CID 42604725) has the molecular formula C41H66O4Si2 and a molecular weight of 679.15 g/mol. Its IUPAC name is tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane
PubChem CID42604725
Molecular FormulaC41H66O4Si2
Molecular Weight679.15 g/mol
Exact Mass678.45
IUPAC Nametert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane
SMILESC=C(C[C@@H](COC1CCCCO1)O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H66O4Si2/c1-32(27-33(2)30-44-47(41(8,9)10,37-21-15-13-16-22-37)38-23-17-14-18-24-38)28-34(3)35(4)29-36(45-46(11,12)40(5,6)7)31-43-39-25-19-20-26-42-39/h13-18,21-24,28,32-33,36,39H,4,19-20,25-27,29-31H2,1-3,5-12H3/b34-28+/t32-,33-,36+,39?/m1/s1
InChIKeyIIRCLPNVXRCJQY-IJYQXOIYSA-N
XLogP10.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.15
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane (CID 42604725) is tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane is C=C(C[C@@H](COC1CCCCO1)O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane?
The InChIKey is IIRCLPNVXRCJQY-IJYQXOIYSA-N. The full InChI is InChI=1S/C41H66O4Si2/c1-32(27-33(2)30-44-47(41(8,9)10,37-21-15-13-16-22-37)38-23-17-14-18-24-38)28-34(3)35(4)29-36(45-46(11,12)40(5,6)7)31-43-39-25-19-20-26-42-39/h13-18,21-24,28,32-33,36,39H,4,19-20,25-27,29-31H2,1-3,5-12H3/b34-28+/t32-,33-,36+,39?/m1/s1.
What are the key properties of tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane?
tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane has a molecular weight of 679.15 g/mol, XLogP of 10.05, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-(oxan-2-yloxy)dec-5-enoxy]-diphenylsilane is sourced from PubChem (CID 42604725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).