(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde

C12H22O4Si — CID 58858615

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(C=O)C1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h8-10H,6-7H2,1-5H3/t9-,10?/m1/s1
InChIKeyGYNVOHNBBFGIDM-YHMJZVADSA-N
MW258.39 g/mol
LogP2.28
Rot. Bonds3

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde (PubChem CID 58858615) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
PubChem CID58858615
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(C=O)C1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h8-10H,6-7H2,1-5H3/t9-,10?/m1/s1
InChIKeyGYNVOHNBBFGIDM-YHMJZVADSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 157431725
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(trichloromethyl)oxan-2-one
CID 15341503
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde;N-[5-[(E)-2-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethenyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;N-[5-ethyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;sulfane
CID 158698813
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetic acid
CID 68542742
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde (CID 58858615) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(C=O)C1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
The InChIKey is GYNVOHNBBFGIDM-YHMJZVADSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h8-10H,6-7H2,1-5H3/t9-,10?/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde has a molecular weight of 258.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde is sourced from PubChem (CID 58858615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).