(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one

C22H44O5Si2 — CID 10527289

IUPAC(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
SMILESC[C@@H]1O[C@]2(CCCC(=O)O2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si2/c1-16-19(27-29(10,11)21(5,6)7)17(26-28(8,9)20(2,3)4)15-22(24-16)14-12-13-18(23)25-22/h16-17,19H,12-15H2,1-11H3/t16-,17-,19-,22-/m0/s1
InChIKeyCWBRMACFVFOSDN-SXKCCIOGSA-N
MW444.76 g/mol
LogP6.00
Rot. Bonds4

About (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one

(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one (PubChem CID 10527289) has the molecular formula C22H44O5Si2 and a molecular weight of 444.76 g/mol. Its IUPAC name is (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
PubChem CID10527289
Molecular FormulaC22H44O5Si2
Molecular Weight444.76 g/mol
Exact Mass444.27
IUPAC Name(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
SMILESC[C@@H]1O[C@]2(CCCC(=O)O2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si2/c1-16-19(27-29(10,11)21(5,6)7)17(26-28(8,9)20(2,3)4)15-22(24-16)14-12-13-18(23)25-22/h16-17,19H,12-15H2,1-11H3/t16-,17-,19-,22-/m0/s1
InChIKeyCWBRMACFVFOSDN-SXKCCIOGSA-N
XLogP6.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(4S,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]propanoate
CID 134990997
methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxyoxane-3-carboxylate
CID 13995303
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)tetrahydropyran-2-one
CID 46894692
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3R)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate
CID 134937077
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
[6-Methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate
CID 609194
[6-Methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate
CID 609195
[6-Methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate
CID 609205
alpha-D-Glucopyranoside, methyl 2,3,4-tris-O-(trimethylsilyl)-6-dodecanoyl-
CID 22294601
Methyl 6-O-stearoyl-2,3,4-tris-O-(trimethylsilyl)hexopyranoside
CID 91733359
alpha-d-Glucopyranoside, methyl 2,3,4-tris-O-(trimethylsilyl)-, hexadecanoate
CID 91733360

Frequently Asked Questions

What is the IUPAC name of (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one?
The IUPAC name of (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one (CID 10527289) is (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one is C[C@@H]1O[C@]2(CCCC(=O)O2)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 (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one?
The InChIKey is CWBRMACFVFOSDN-SXKCCIOGSA-N. The full InChI is InChI=1S/C22H44O5Si2/c1-16-19(27-29(10,11)21(5,6)7)17(26-28(8,9)20(2,3)4)15-22(24-16)14-12-13-18(23)25-22/h16-17,19H,12-15H2,1-11H3/t16-,17-,19-,22-/m0/s1.
What are the key properties of (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one?
(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one has a molecular weight of 444.76 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one is sourced from PubChem (CID 10527289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).