(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one

C20H40O5Si2 — CID 138983144

IUPAC(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)C(=O)OC12CCCCO2
InChIInChI=1S/C20H40O5Si2/c1-7-26(8-2,9-3)24-17-18(25-27(10-4,11-5)12-6)20(23-19(17)21)15-13-14-16-22-20/h17-18H,7-16H2,1-6H3/t17-,18-,20?/m1/s1
InChIKeyZFEWBGNCYZZTCS-KUBVQFIISA-N
MW416.71 g/mol
LogP5.22
Rot. Bonds10

About (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one

(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one (PubChem CID 138983144) has the molecular formula C20H40O5Si2 and a molecular weight of 416.71 g/mol. Its IUPAC name is (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one
PubChem CID138983144
Molecular FormulaC20H40O5Si2
Molecular Weight416.71 g/mol
Exact Mass416.24
IUPAC Name(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)C(=O)OC12CCCCO2
InChIInChI=1S/C20H40O5Si2/c1-7-26(8-2,9-3)24-17-18(25-27(10-4,11-5)12-6)20(23-19(17)21)15-13-14-16-22-20/h17-18H,7-16H2,1-6H3/t17-,18-,20?/m1/s1
InChIKeyZFEWBGNCYZZTCS-KUBVQFIISA-N
XLogP5.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
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
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
Ethyl (2R,3S)-2-(tetrahydro-2H-pyran-2-yloxy)-3-(triisopropylsiloxy)decanoate
CID 132427757
Glucoheptonolactone, 5TMS ether
CID 553476
[6-Methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate
CID 609205
ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate
CID 10716123
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
alpha-D-Glucopyranoside, methyl 2,3,4-tris-O-(trimethylsilyl)-6-dodecanoyl-
CID 22294601
2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89338520
methyl (4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]-2-methoxy-5-methyloxane-2-carboxylate
CID 89715581

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one?
The IUPAC name of (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one (CID 138983144) is (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one is CC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)C(=O)OC12CCCCO2.
What is the InChIKey of (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one?
The InChIKey is ZFEWBGNCYZZTCS-KUBVQFIISA-N. The full InChI is InChI=1S/C20H40O5Si2/c1-7-26(8-2,9-3)24-17-18(25-27(10-4,11-5)12-6)20(23-19(17)21)15-13-14-16-22-20/h17-18H,7-16H2,1-6H3/t17-,18-,20?/m1/s1.
What are the key properties of (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one?
(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one has a molecular weight of 416.71 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 138983144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).