dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone

C12H24O4Si — CID 173206663

IUPACdimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone
SMILESCC1OC[C@@H](OC(C)(C)C)[C@H](C(=O)[SiH](C)C)O1
InChIInChI=1S/C12H24O4Si/c1-8-14-7-9(16-12(2,3)4)10(15-8)11(13)17(5)6/h8-10,17H,7H2,1-6H3/t8?,9-,10-/m1/s1
InChIKeyOAFFUSOKCPWHGW-VXRWAFEHSA-N
MW260.41 g/mol
LogP1.53
Rot. Bonds3

About dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone

dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone (PubChem CID 173206663) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone.

Molecular Properties

Compound Namedimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone
PubChem CID173206663
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namedimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone
SMILESCC1OC[C@@H](OC(C)(C)C)[C@H](C(=O)[SiH](C)C)O1
InChIInChI=1S/C12H24O4Si/c1-8-14-7-9(16-12(2,3)4)10(15-8)11(13)17(5)6/h8-10,17H,7H2,1-6H3/t8?,9-,10-/m1/s1
InChIKeyOAFFUSOKCPWHGW-VXRWAFEHSA-N
XLogP1.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone?
The IUPAC name of dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone (CID 173206663) is dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone.
What is the SMILES notation for dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone?
The canonical SMILES for dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone is CC1OC[C@@H](OC(C)(C)C)[C@H](C(=O)[SiH](C)C)O1.
What is the InChIKey of dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone?
The InChIKey is OAFFUSOKCPWHGW-VXRWAFEHSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-8-14-7-9(16-12(2,3)4)10(15-8)11(13)17(5)6/h8-10,17H,7H2,1-6H3/t8?,9-,10-/m1/s1.
What are the key properties of dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone?
dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone has a molecular weight of 260.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl-[(4R,5R)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-dioxan-4-yl]methanone is sourced from PubChem (CID 173206663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).