(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one

C13H26O4Si — CID 134866747

IUPAC(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one
SMILESCC[Si](CC)(CC)O[C@@H]1CCC(=O)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C13H26O4Si/c1-5-18(6-2,7-3)17-11-9-8-10(14)12(15)13(11)16-4/h11-13,15H,5-9H2,1-4H3/t11-,12-,13-/m1/s1
InChIKeySBWCSQIOSUEUST-JHJVBQTASA-N
MW274.43 g/mol
LogP2.12
Rot. Bonds6

About (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one

(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one (PubChem CID 134866747) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one
PubChem CID134866747
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one
SMILESCC[Si](CC)(CC)O[C@@H]1CCC(=O)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C13H26O4Si/c1-5-18(6-2,7-3)17-11-9-8-10(14)12(15)13(11)16-4/h11-13,15H,5-9H2,1-4H3/t11-,12-,13-/m1/s1
InChIKeySBWCSQIOSUEUST-JHJVBQTASA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one with MolForge

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Related Compounds

Trimethylsilyl glucose
CID 87323113
Cyclohexanone, 3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-hydroxy-, (3R, 5R)
CID 11222586
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-methylcyclohexan-1-one
CID 23629596
(2R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,5-trihydroxycyclohexan-1-one;hydrate
CID 139115328
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 15344855
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one
CID 20638751
2,3,4,5,6-Pentahydroxy-1-trimethylsilylhexan-1-one
CID 22114625
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 57599550
(2S,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxycyclohexan-1-one
CID 89612240
(2S,3R,4R)-2,4-dihydroxy-3-methoxycyclohexan-1-one
CID 10080654
(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one
CID 10906862
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one?
The IUPAC name of (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one (CID 134866747) is (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one.
What is the SMILES notation for (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one?
The canonical SMILES for (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one is CC[Si](CC)(CC)O[C@@H]1CCC(=O)[C@@H](O)[C@@H]1OC.
What is the InChIKey of (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one?
The InChIKey is SBWCSQIOSUEUST-JHJVBQTASA-N. The full InChI is InChI=1S/C13H26O4Si/c1-5-18(6-2,7-3)17-11-9-8-10(14)12(15)13(11)16-4/h11-13,15H,5-9H2,1-4H3/t11-,12-,13-/m1/s1.
What are the key properties of (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one?
(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one has a molecular weight of 274.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 134866747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).