(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol

C8H19ClO2Si — CID 154096628

IUPAC(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol
SMILESC[SiH](OC[C@@H](O)CCl)C(C)(C)C
InChIInChI=1S/C8H19ClO2Si/c1-8(2,3)12(4)11-6-7(10)5-9/h7,10,12H,5-6H2,1-4H3/t7-,12?/m0/s1
InChIKeyCXDYHOHQHSZWJM-KAJCPDDVSA-N
MW210.78 g/mol
LogP1.76
Rot. Bonds4

About (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol

(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol (PubChem CID 154096628) has the molecular formula C8H19ClO2Si and a molecular weight of 210.78 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol
PubChem CID154096628
Molecular FormulaC8H19ClO2Si
Molecular Weight210.78 g/mol
Exact Mass210.08
IUPAC Name(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol
SMILESC[SiH](OC[C@@H](O)CCl)C(C)(C)C
InChIInChI=1S/C8H19ClO2Si/c1-8(2,3)12(4)11-6-7(10)5-9/h7,10,12H,5-6H2,1-4H3/t7-,12?/m0/s1
InChIKeyCXDYHOHQHSZWJM-KAJCPDDVSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol (CID 154096628) is (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol is C[SiH](OC[C@@H](O)CCl)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol?
The InChIKey is CXDYHOHQHSZWJM-KAJCPDDVSA-N. The full InChI is InChI=1S/C8H19ClO2Si/c1-8(2,3)12(4)11-6-7(10)5-9/h7,10,12H,5-6H2,1-4H3/t7-,12?/m0/s1.
What are the key properties of (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol?
(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol has a molecular weight of 210.78 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol is sourced from PubChem (CID 154096628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).