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

C19H25ClO2Si — CID 124630717

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25ClO2Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,21H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyYXGKDONGRNVUPO-INIZCTEOSA-N
MW348.95 g/mol
LogP3.16
Rot. Bonds6

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

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol (PubChem CID 124630717) has the molecular formula C19H25ClO2Si and a molecular weight of 348.95 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
PubChem CID124630717
Molecular FormulaC19H25ClO2Si
Molecular Weight348.95 g/mol
Exact Mass348.13
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25ClO2Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,21H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyYXGKDONGRNVUPO-INIZCTEOSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.95
LogP ≤ 53.16
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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Related Compounds

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol (CID 124630717) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol is CC(C)(C)[Si](OC[C@@H](O)CCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol?
The InChIKey is YXGKDONGRNVUPO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25ClO2Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,21H,14-15H2,1-3H3/t16-/m0/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol has a molecular weight of 348.95 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol is sourced from PubChem (CID 124630717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).