tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C29H41NO4Si — CID 12069087

IUPACtert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C2CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1(C)C
InChIInChI=1S/C29H41NO4Si/c1-27(2,3)33-26(31)30-24(20-32-29(30,7)8)23-19-25(23)34-35(28(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-25H,19-20H2,1-8H3/t23?,24-,25?/m0/s1
InChIKeyCWVKDVWYDRKDTC-BQCMWAFGSA-N
MW495.74 g/mol
LogP5.32
Rot. Bonds5

About tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 12069087) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID12069087
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Nametert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C2CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1(C)C
InChIInChI=1S/C29H41NO4Si/c1-27(2,3)33-26(31)30-24(20-32-29(30,7)8)23-19-25(23)34-35(28(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-25H,19-20H2,1-8H3/t23?,24-,25?/m0/s1
InChIKeyCWVKDVWYDRKDTC-BQCMWAFGSA-N
XLogP5.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 12069087) is tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](C2CC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is CWVKDVWYDRKDTC-BQCMWAFGSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-27(2,3)33-26(31)30-24(20-32-29(30,7)8)23-19-25(23)34-35(28(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-25H,19-20H2,1-8H3/t23?,24-,25?/m0/s1.
What are the key properties of tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 495.74 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]oxycyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 12069087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).