(4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one

C12H24O4Si — CID 90321006

IUPAC(4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one
SMILESCC(C)(C[C@H]1CC(=O)O[C@H](CO)C1)[Si](C)(C)O
InChIInChI=1S/C12H24O4Si/c1-12(2,17(3,4)15)7-9-5-10(8-13)16-11(14)6-9/h9-10,13,15H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyIVNZPKFCZQGTTK-ZJUUUORDSA-N
MW260.41 g/mol
LogP1.67
Rot. Bonds4

About (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one

(4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one (PubChem CID 90321006) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one
PubChem CID90321006
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one
SMILESCC(C)(C[C@H]1CC(=O)O[C@H](CO)C1)[Si](C)(C)O
InChIInChI=1S/C12H24O4Si/c1-12(2,17(3,4)15)7-9-5-10(8-13)16-11(14)6-9/h9-10,13,15H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyIVNZPKFCZQGTTK-ZJUUUORDSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one
CID 71082391
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
acetylene;(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-one;hydrate
CID 143206459
2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
CID 164881798
(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one
CID 44603863
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
6-(3,3-dimethylhexyl)-4-hydroxyoxan-2-one
CID 126657431
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
5-(hydroxymethyl)-3-methyloxolan-2-one
CID 13462626
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one (CID 90321006) is (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one is CC(C)(C[C@H]1CC(=O)O[C@H](CO)C1)[Si](C)(C)O.
What is the InChIKey of (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one?
The InChIKey is IVNZPKFCZQGTTK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,17(3,4)15)7-9-5-10(8-13)16-11(14)6-9/h9-10,13,15H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one?
(4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one has a molecular weight of 260.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 90321006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).