tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane

C33H66O4Si2 — CID 11157520

IUPACtert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane
SMILESC/C(=C\C[C@H]1OC2(CCCC2)OC[C@@H]1C)C[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H66O4Si2/c1-26(19-20-29-28(3)25-34-33(36-29)21-15-16-22-33)24-27(2)30(37-39(12,13)32(7,8)9)18-14-17-23-35-38(10,11)31(4,5)6/h19,27-30H,14-18,20-25H2,1-13H3/b26-19+/t27-,28-,29+,30-/m0/s1
InChIKeyRSUXPVRVYHSCTN-JNVAYOSOSA-N
MW583.06 g/mol
LogP10.25
Rot. Bonds13

About tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane

tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane (PubChem CID 11157520) has the molecular formula C33H66O4Si2 and a molecular weight of 583.06 g/mol. Its IUPAC name is tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane
PubChem CID11157520
Molecular FormulaC33H66O4Si2
Molecular Weight583.06 g/mol
Exact Mass582.45
IUPAC Nametert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane
SMILESC/C(=C\C[C@H]1OC2(CCCC2)OC[C@@H]1C)C[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H66O4Si2/c1-26(19-20-29-28(3)25-34-33(36-29)21-15-16-22-33)24-27(2)30(37-39(12,13)32(7,8)9)18-14-17-23-35-38(10,11)31(4,5)6/h19,27-30H,14-18,20-25H2,1-13H3/b26-19+/t27-,28-,29+,30-/m0/s1
InChIKeyRSUXPVRVYHSCTN-JNVAYOSOSA-N
XLogP10.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.06
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane (CID 11157520) is tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane is C/C(=C\C[C@H]1OC2(CCCC2)OC[C@@H]1C)C[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane?
The InChIKey is RSUXPVRVYHSCTN-JNVAYOSOSA-N. The full InChI is InChI=1S/C33H66O4Si2/c1-26(19-20-29-28(3)25-34-33(36-29)21-15-16-22-33)24-27(2)30(37-39(12,13)32(7,8)9)18-14-17-23-35-38(10,11)31(4,5)6/h19,27-30H,14-18,20-25H2,1-13H3/b26-19+/t27-,28-,29+,30-/m0/s1.
What are the key properties of tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane?
tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane has a molecular weight of 583.06 g/mol, XLogP of 10.25, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-10-[(8S,9R)-8-methyl-6,10-dioxaspiro[4.5]decan-9-yl]dec-8-enoxy]-dimethylsilane is sourced from PubChem (CID 11157520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).