[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol

C17H34O4Si — CID 11595116

IUPAC[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[C@@]2(CCCO2)[C@H]1C
InChIInChI=1S/C17H34O4Si/c1-12-13(2)17(9-8-10-19-17)20-14(11-18)15(12)21-22(6,7)16(3,4)5/h12-15,18H,8-11H2,1-7H3/t12-,13-,14-,15+,17-/m0/s1
InChIKeyBIDIQHOMGDUMSR-JGFGOLAASA-N
MW330.54 g/mol
LogP3.55
Rot. Bonds3

About [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol

[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol (PubChem CID 11595116) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol.

Molecular Properties

Compound Name[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol
PubChem CID11595116
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[C@@]2(CCCO2)[C@H]1C
InChIInChI=1S/C17H34O4Si/c1-12-13(2)17(9-8-10-19-17)20-14(11-18)15(12)21-22(6,7)16(3,4)5/h12-15,18H,8-11H2,1-7H3/t12-,13-,14-,15+,17-/m0/s1
InChIKeyBIDIQHOMGDUMSR-JGFGOLAASA-N
XLogP3.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
[(1R)-1-[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,6-dioxaspiro[4.4]nonan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 11365927
[(2R,3S,4aR,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methanol
CID 102161865
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
CID 88572294
CID 88572294
CID 88871664
CID 88871664
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
N-[(2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 23636276
N-[(2S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)oxolan-3-yl]acetamide
CID 71166971

Frequently Asked Questions

What is the IUPAC name of [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol?
The IUPAC name of [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol (CID 11595116) is [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol.
What is the SMILES notation for [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol?
The canonical SMILES for [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol is C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[C@@]2(CCCO2)[C@H]1C.
What is the InChIKey of [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol?
The InChIKey is BIDIQHOMGDUMSR-JGFGOLAASA-N. The full InChI is InChI=1S/C17H34O4Si/c1-12-13(2)17(9-8-10-19-17)20-14(11-18)15(12)21-22(6,7)16(3,4)5/h12-15,18H,8-11H2,1-7H3/t12-,13-,14-,15+,17-/m0/s1.
What are the key properties of [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol?
[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol has a molecular weight of 330.54 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol is sourced from PubChem (CID 11595116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).