dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate

C12H24O5Si — CID 173498387

IUPACdimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate
SMILESCOC(=O)CC(OC(C)(C)C)(C(=O)OC)[SiH](C)C
InChIInChI=1S/C12H24O5Si/c1-11(2,3)17-12(18(6)7,10(14)16-5)8-9(13)15-4/h18H,8H2,1-7H3
InChIKeyQODUDPXWQWDAIQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.30
Rot. Bonds5

About dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate

dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate (PubChem CID 173498387) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate.

Molecular Properties

Compound Namedimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate
PubChem CID173498387
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Namedimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate
SMILESCOC(=O)CC(OC(C)(C)C)(C(=O)OC)[SiH](C)C
InChIInChI=1S/C12H24O5Si/c1-11(2,3)17-12(18(6)7,10(14)16-5)8-9(13)15-4/h18H,8H2,1-7H3
InChIKeyQODUDPXWQWDAIQ-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate?
The IUPAC name of dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate (CID 173498387) is dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate.
What is the SMILES notation for dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate?
The canonical SMILES for dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate is COC(=O)CC(OC(C)(C)C)(C(=O)OC)[SiH](C)C.
What is the InChIKey of dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate?
The InChIKey is QODUDPXWQWDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-11(2,3)17-12(18(6)7,10(14)16-5)8-9(13)15-4/h18H,8H2,1-7H3.
What are the key properties of dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate?
dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate has a molecular weight of 276.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-dimethylsilyl-2-[(2-methylpropan-2-yl)oxy]butanedioate is sourced from PubChem (CID 173498387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).