tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane

C43H70O6Si2 — CID 134879194

IUPACtert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane
SMILESCC(/C=C/CO[C@@]1(C(CC(COCc2ccccc2)COCc2ccccc2)O[Si](C)(C)C(C)(C)C)CCCO1)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H70O6Si2/c1-36(22-19-30-48-50(8,9)41(2,3)4)21-18-28-46-43(27-20-29-47-43)40(49-51(10,11)42(5,6)7)31-39(34-44-32-37-23-14-12-15-24-37)35-45-33-38-25-16-13-17-26-38/h12-18,21-26,39-40H,19-20,27-35H2,1-11H3/b21-18+,36-22+/t40?,43-/m0/s1
InChIKeyQOSZOLADTZTPHN-RVNJYWQCSA-N
MW739.20 g/mol
LogP11.25
Rot. Bonds21

About tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane

tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane (PubChem CID 134879194) has the molecular formula C43H70O6Si2 and a molecular weight of 739.20 g/mol. Its IUPAC name is tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane
PubChem CID134879194
Molecular FormulaC43H70O6Si2
Molecular Weight739.20 g/mol
Exact Mass738.47
IUPAC Nametert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane
SMILESCC(/C=C/CO[C@@]1(C(CC(COCc2ccccc2)COCc2ccccc2)O[Si](C)(C)C(C)(C)C)CCCO1)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H70O6Si2/c1-36(22-19-30-48-50(8,9)41(2,3)4)21-18-28-46-43(27-20-29-47-43)40(49-51(10,11)42(5,6)7)31-39(34-44-32-37-23-14-12-15-24-37)35-45-33-38-25-16-13-17-26-38/h12-18,21-26,39-40H,19-20,27-35H2,1-11H3/b21-18+,36-22+/t40?,43-/m0/s1
InChIKeyQOSZOLADTZTPHN-RVNJYWQCSA-N
XLogP11.25
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.20
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane (CID 134879194) is tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane is CC(/C=C/CO[C@@]1(C(CC(COCc2ccccc2)COCc2ccccc2)O[Si](C)(C)C(C)(C)C)CCCO1)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane?
The InChIKey is QOSZOLADTZTPHN-RVNJYWQCSA-N. The full InChI is InChI=1S/C43H70O6Si2/c1-36(22-19-30-48-50(8,9)41(2,3)4)21-18-28-46-43(27-20-29-47-43)40(49-51(10,11)42(5,6)7)31-39(34-44-32-37-23-14-12-15-24-37)35-45-33-38-25-16-13-17-26-38/h12-18,21-26,39-40H,19-20,27-35H2,1-11H3/b21-18+,36-22+/t40?,43-/m0/s1.
What are the key properties of tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane?
tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane has a molecular weight of 739.20 g/mol, XLogP of 11.25, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2R)-2-[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dienoxy]oxolan-2-yl]-4-phenylmethoxy-3-(phenylmethoxymethyl)butoxy]-dimethylsilane is sourced from PubChem (CID 134879194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).