[(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane

C21H37IO2Si — CID 11236894

IUPAC[(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H](COCc1ccccc1)[C@H](C)CI)(C(C)C)C(C)C
InChIInChI=1S/C21H37IO2Si/c1-16(2)25(17(3)4,18(5)6)24-21(19(7)13-22)15-23-14-20-11-9-8-10-12-20/h8-12,16-19,21H,13-15H2,1-7H3/t19-,21-/m1/s1
InChIKeyVXRXXGRFGRTRRZ-TZIWHRDSSA-N
MW476.52 g/mol
LogP6.84
Rot. Bonds11

About [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane

[(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11236894) has the molecular formula C21H37IO2Si and a molecular weight of 476.52 g/mol. Its IUPAC name is [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID11236894
Molecular FormulaC21H37IO2Si
Molecular Weight476.52 g/mol
Exact Mass476.16
IUPAC Name[(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H](COCc1ccccc1)[C@H](C)CI)(C(C)C)C(C)C
InChIInChI=1S/C21H37IO2Si/c1-16(2)25(17(3)4,18(5)6)24-21(19(7)13-22)15-23-14-20-11-9-8-10-12-20/h8-12,16-19,21H,13-15H2,1-7H3/t19-,21-/m1/s1
InChIKeyVXRXXGRFGRTRRZ-TZIWHRDSSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane (CID 11236894) is [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@H](COCc1ccccc1)[C@H](C)CI)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is VXRXXGRFGRTRRZ-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H37IO2Si/c1-16(2)25(17(3)4,18(5)6)24-21(19(7)13-22)15-23-14-20-11-9-8-10-12-20/h8-12,16-19,21H,13-15H2,1-7H3/t19-,21-/m1/s1.
What are the key properties of [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane?
[(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 476.52 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-iodo-3-methyl-1-phenylmethoxybutan-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11236894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).