tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane

C20H38O6Si — CID 22869106

IUPACtert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
SMILESC=C(C)[C@@]1(OC)[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]12COC(C)(C)O2
InChIInChI=1S/C20H38O6Si/c1-14(2)20(22-9)16(21-8)15(25-27(10,11)17(3,4)5)12-23-19(20)13-24-18(6,7)26-19/h15-16H,1,12-13H2,2-11H3/t15-,16-,19+,20-/m1/s1
InChIKeyKDTCFLGQQHHZPE-YAJHFMINSA-N
MW402.60 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane

tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane (PubChem CID 22869106) has the molecular formula C20H38O6Si and a molecular weight of 402.60 g/mol. Its IUPAC name is tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
PubChem CID22869106
Molecular FormulaC20H38O6Si
Molecular Weight402.60 g/mol
Exact Mass402.24
IUPAC Nametert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
SMILESC=C(C)[C@@]1(OC)[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]12COC(C)(C)O2
InChIInChI=1S/C20H38O6Si/c1-14(2)20(22-9)16(21-8)15(25-27(10,11)17(3,4)5)12-23-19(20)13-24-18(6,7)26-19/h15-16H,1,12-13H2,2-11H3/t15-,16-,19+,20-/m1/s1
InChIKeyKDTCFLGQQHHZPE-YAJHFMINSA-N
XLogP3.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 53.86
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane (CID 22869106) is tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane is C=C(C)[C@@]1(OC)[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]12COC(C)(C)O2.
What is the InChIKey of tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
The InChIKey is KDTCFLGQQHHZPE-YAJHFMINSA-N. The full InChI is InChI=1S/C20H38O6Si/c1-14(2)20(22-9)16(21-8)15(25-27(10,11)17(3,4)5)12-23-19(20)13-24-18(6,7)26-19/h15-16H,1,12-13H2,2-11H3/t15-,16-,19+,20-/m1/s1.
What are the key properties of tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane has a molecular weight of 402.60 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 22869106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).