tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C30H43NO4Si — CID 70330094

IUPACtert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-9-16-23(26-22-34-30(7,8)31(26)27(32)35-28(2,3)4)21-29(5,6)36(33,24-17-12-10-13-18-24)25-19-14-11-15-20-25/h9-20,23,26,33H,21-22H2,1-8H3/b16-9+/t23-,26?/m0/s1
InChIKeyLZIXEAVBXMTYIZ-RHOGOBMYSA-N
MW509.76 g/mol
LogP5.47
Rot. Bonds7

About tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 70330094) has the molecular formula C30H43NO4Si and a molecular weight of 509.76 g/mol. Its IUPAC name is tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID70330094
Molecular FormulaC30H43NO4Si
Molecular Weight509.76 g/mol
Exact Mass509.30
IUPAC Nametert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-9-16-23(26-22-34-30(7,8)31(26)27(32)35-28(2,3)4)21-29(5,6)36(33,24-17-12-10-13-18-24)25-19-14-11-15-20-25/h9-20,23,26,33H,21-22H2,1-8H3/b16-9+/t23-,26?/m0/s1
InChIKeyLZIXEAVBXMTYIZ-RHOGOBMYSA-N
XLogP5.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 70330094) is tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is LZIXEAVBXMTYIZ-RHOGOBMYSA-N. The full InChI is InChI=1S/C30H43NO4Si/c1-9-16-23(26-22-34-30(7,8)31(26)27(32)35-28(2,3)4)21-29(5,6)36(33,24-17-12-10-13-18-24)25-19-14-11-15-20-25/h9-20,23,26,33H,21-22H2,1-8H3/b16-9+/t23-,26?/m0/s1.
What are the key properties of tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 509.76 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(E,4R)-6-[hydroxy(diphenyl)silyl]-6-methylhept-2-en-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 70330094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).