ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane

C13H30OSi — CID 136857515

IUPACditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane
SMILES[2H][C@@H](C)[C@@H](C)[Si](OC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30OSi/c1-10-11(2)15(14-9,12(3,4)5)13(6,7)8/h11H,10H2,1-9H3/t11-/m1/s1/i10D/t10-,11+/m0
InChIKeyUCCCWTQIRIPJLB-UUAQMXOKSA-N
MW231.47 g/mol
LogP4.98
Rot. Bonds3

About ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane

ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane (PubChem CID 136857515) has the molecular formula C13H30OSi and a molecular weight of 231.47 g/mol. Its IUPAC name is ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane.

Molecular Properties

Compound Nameditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane
PubChem CID136857515
Molecular FormulaC13H30OSi
Molecular Weight231.47 g/mol
Exact Mass231.21
IUPAC Nameditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane
SMILES[2H][C@@H](C)[C@@H](C)[Si](OC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30OSi/c1-10-11(2)15(14-9,12(3,4)5)13(6,7)8/h11H,10H2,1-9H3/t11-/m1/s1/i10D/t10-,11+/m0
InChIKeyUCCCWTQIRIPJLB-UUAQMXOKSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane?
The IUPAC name of ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane (CID 136857515) is ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane.
What is the SMILES notation for ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane?
The canonical SMILES for ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane is [2H][C@@H](C)[C@@H](C)[Si](OC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane?
The InChIKey is UCCCWTQIRIPJLB-UUAQMXOKSA-N. The full InChI is InChI=1S/C13H30OSi/c1-10-11(2)15(14-9,12(3,4)5)13(6,7)8/h11H,10H2,1-9H3/t11-/m1/s1/i10D/t10-,11+/m0.
What are the key properties of ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane?
ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane has a molecular weight of 231.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(2R,3S)-3-deuteriobutan-2-yl]-methoxysilane is sourced from PubChem (CID 136857515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).