(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one

C19H40O4Si2 — CID 11047381

IUPAC(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-15-11-14(13-20)17(21)16(12-15)23-25(9,10)19(4,5)6/h14-16,20H,11-13H2,1-10H3/t14-,15-,16+/m1/s1
InChIKeyYFTWEGPRQYPOFU-OAGGEKHMSA-N
MW388.70 g/mol
LogP4.74
Rot. Bonds5

About (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one

(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one (PubChem CID 11047381) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
PubChem CID11047381
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Name(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-15-11-14(13-20)17(21)16(12-15)23-25(9,10)19(4,5)6/h14-16,20H,11-13H2,1-10H3/t14-,15-,16+/m1/s1
InChIKeyYFTWEGPRQYPOFU-OAGGEKHMSA-N
XLogP4.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol
CID 67078431
4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
CID 20513649
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate
CID 10925204
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
(2E)-2-[(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 101099401
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one?
The IUPAC name of (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one (CID 11047381) is (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one.
What is the SMILES notation for (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one?
The canonical SMILES for (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one?
The InChIKey is YFTWEGPRQYPOFU-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-15-11-14(13-20)17(21)16(12-15)23-25(9,10)19(4,5)6/h14-16,20H,11-13H2,1-10H3/t14-,15-,16+/m1/s1.
What are the key properties of (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one?
(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one has a molecular weight of 388.70 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one is sourced from PubChem (CID 11047381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).