tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate

C34H53NO5Si2 — CID 10930128

IUPACtert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate
SMILESCC(C)[Si](OC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C34H53NO5Si2/c1-24(2)41(25(3)4,26(5)6)38-23-29-30(31(36)35(29)32(37)39-33(7,8)9)40-42(34(10,11)12,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,24-26,29-30H,23H2,1-12H3/t29-,30-/m0/s1
InChIKeyBHRKDYAIQPOIDZ-KYJUHHDHSA-N
MW611.97 g/mol
LogP7.27
Rot. Bonds10

About tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate

tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate (PubChem CID 10930128) has the molecular formula C34H53NO5Si2 and a molecular weight of 611.97 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate
PubChem CID10930128
Molecular FormulaC34H53NO5Si2
Molecular Weight611.97 g/mol
Exact Mass611.35
IUPAC Nametert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate
SMILESCC(C)[Si](OC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C34H53NO5Si2/c1-24(2)41(25(3)4,26(5)6)38-23-29-30(31(36)35(29)32(37)39-33(7,8)9)40-42(34(10,11)12,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,24-26,29-30H,23H2,1-12H3/t29-,30-/m0/s1
InChIKeyBHRKDYAIQPOIDZ-KYJUHHDHSA-N
XLogP7.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.97
LogP ≤ 57.27
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 tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate (CID 10930128) is tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate is CC(C)[Si](OC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate?
The InChIKey is BHRKDYAIQPOIDZ-KYJUHHDHSA-N. The full InChI is InChI=1S/C34H53NO5Si2/c1-24(2)41(25(3)4,26(5)6)38-23-29-30(31(36)35(29)32(37)39-33(7,8)9)40-42(34(10,11)12,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,24-26,29-30H,23H2,1-12H3/t29-,30-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate?
tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate has a molecular weight of 611.97 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 10930128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).