(5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one

C27H54O4Si2 — CID 10649019

IUPAC(5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one
SMILESCC(C)[Si](O[C@@H]1CO[C@@]2(CCCC2=O)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O4Si2/c1-18(2)32(19(3)4,20(5)6)30-24-16-27(15-13-14-26(27)28)29-17-25(24)31-33(21(7)8,22(9)10)23(11)12/h18-25H,13-17H2,1-12H3/t24-,25-,27+/m1/s1
InChIKeyGXDXWRLDBWNLRK-SLQPCKNISA-N
MW498.90 g/mol
LogP8.02
Rot. Bonds10

About (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one

(5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one (PubChem CID 10649019) has the molecular formula C27H54O4Si2 and a molecular weight of 498.90 g/mol. Its IUPAC name is (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one
PubChem CID10649019
Molecular FormulaC27H54O4Si2
Molecular Weight498.90 g/mol
Exact Mass498.36
IUPAC Name(5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one
SMILESCC(C)[Si](O[C@@H]1CO[C@@]2(CCCC2=O)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O4Si2/c1-18(2)32(19(3)4,20(5)6)30-24-16-27(15-13-14-26(27)28)29-17-25(24)31-33(21(7)8,22(9)10)23(11)12/h18-25H,13-17H2,1-12H3/t24-,25-,27+/m1/s1
InChIKeyGXDXWRLDBWNLRK-SLQPCKNISA-N
XLogP8.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 58.02
H-Bond Donors ≤ 50
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

1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 134951460
(1R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-(3-oxobutyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-one
CID 135018571
1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 135025581
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 11330018
(5S,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one
CID 10508783
(5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one
CID 10532616
(5R,7S,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10550502
(5S,7S,8S,9S)-8,9-Bis{[tert-butyl(dimethyl)silyl]oxy}-7-methyl-6-oxaspiro[4.5]decan-1-one
CID 10622471
(5S,7S,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10693854
(5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10741216
(5R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one
CID 10767659
(5R,8R,9S)-8,9-Bis[(triisopropylsilyl)oxy]-6-oxaspiro[4.5]decan-1-one
CID 10767660

Frequently Asked Questions

What is the IUPAC name of (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one (CID 10649019) is (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one is CC(C)[Si](O[C@@H]1CO[C@@]2(CCCC2=O)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one?
The InChIKey is GXDXWRLDBWNLRK-SLQPCKNISA-N. The full InChI is InChI=1S/C27H54O4Si2/c1-18(2)32(19(3)4,20(5)6)30-24-16-27(15-13-14-26(27)28)29-17-25(24)31-33(21(7)8,22(9)10)23(11)12/h18-25H,13-17H2,1-12H3/t24-,25-,27+/m1/s1.
What are the key properties of (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one?
(5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one has a molecular weight of 498.90 g/mol, XLogP of 8.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 10649019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).