(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol

C22H46O4Si2 — CID 99772098

IUPAC(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol
SMILESC[C@@H]1O[C@]2(CCC[C@H]2O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-16-19(26-28(10,11)21(5,6)7)17(25-27(8,9)20(2,3)4)15-22(24-16)14-12-13-18(22)23/h16-19,23H,12-15H2,1-11H3/t16-,17-,18+,19-,22+/m0/s1
InChIKeyLNUAHTFERZFQGV-KSSXRGRSSA-N
MW430.78 g/mol
LogP5.86
Rot. Bonds4

About (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol

(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol (PubChem CID 99772098) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol
PubChem CID99772098
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Name(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol
SMILESC[C@@H]1O[C@]2(CCC[C@H]2O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-16-19(26-28(10,11)21(5,6)7)17(25-27(8,9)20(2,3)4)15-22(24-16)14-12-13-18(22)23/h16-19,23H,12-15H2,1-11H3/t16-,17-,18+,19-,22+/m0/s1
InChIKeyLNUAHTFERZFQGV-KSSXRGRSSA-N
XLogP5.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
tert-butyl-dimethyl-[(2R,3S)-2-methyloxan-3-yl]oxysilane
CID 135079146
(3S,4S,10R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methyloxecan-2-ol
CID 11384956
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
[(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl] acetate
CID 15168730
(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol
CID 11336367
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328

Frequently Asked Questions

What is the IUPAC name of (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol (CID 99772098) is (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol is C[C@@H]1O[C@]2(CCC[C@H]2O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol?
The InChIKey is LNUAHTFERZFQGV-KSSXRGRSSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-16-19(26-28(10,11)21(5,6)7)17(25-27(8,9)20(2,3)4)15-22(24-16)14-12-13-18(22)23/h16-19,23H,12-15H2,1-11H3/t16-,17-,18+,19-,22+/m0/s1.
What are the key properties of (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol?
(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol has a molecular weight of 430.78 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol is sourced from PubChem (CID 99772098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).