1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one

C27H54O6Si2 — CID 10885954

IUPAC1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
SMILESCCC(=O)C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C27H54O6Si2/c1-13-20(28)14-21-15-22(29-8)17-27(31-21)18-23(33-35(11,12)26(5,6)7)16-24(32-27)19-30-34(9,10)25(2,3)4/h21-24H,13-19H2,1-12H3/t21-,22+,23+,24-,27-/m1/s1
InChIKeyHDCWJVGZDDBJTL-CHYHEQJZSA-N
MW530.90 g/mol
LogP6.84
Rot. Bonds9

About 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one

1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one (PubChem CID 10885954) has the molecular formula C27H54O6Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one.

Molecular Properties

Compound Name1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
PubChem CID10885954
Molecular FormulaC27H54O6Si2
Molecular Weight530.90 g/mol
Exact Mass530.35
IUPAC Name1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
SMILESCCC(=O)C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C27H54O6Si2/c1-13-20(28)14-21-15-22(29-8)17-27(31-21)18-23(33-35(11,12)26(5,6)7)16-24(32-27)19-30-34(9,10)25(2,3)4/h21-24H,13-19H2,1-12H3/t21-,22+,23+,24-,27-/m1/s1
InChIKeyHDCWJVGZDDBJTL-CHYHEQJZSA-N
XLogP6.84
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one with MolForge

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Launch Full Analysis

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
1-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-2,3-dione
CID 10864188
1-[(2S,3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]butane-2,3-dione
CID 23631140
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]-2-oxobutanoate
CID 11113551
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6R)-6-[[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butanoate
CID 59012163
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6R)-6-[[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butanoate
CID 89712709
methyl 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 90854931
1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one
CID 171475509
(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
CID 10527289
(2R,6S,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10544284

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?
The IUPAC name of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one (CID 10885954) is 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one.
What is the SMILES notation for 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?
The canonical SMILES for 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one is CCC(=O)C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?
The InChIKey is HDCWJVGZDDBJTL-CHYHEQJZSA-N. The full InChI is InChI=1S/C27H54O6Si2/c1-13-20(28)14-21-15-22(29-8)17-27(31-21)18-23(33-35(11,12)26(5,6)7)16-24(32-27)19-30-34(9,10)25(2,3)4/h21-24H,13-19H2,1-12H3/t21-,22+,23+,24-,27-/m1/s1.
What are the key properties of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?
1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one has a molecular weight of 530.90 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one is sourced from PubChem (CID 10885954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).