tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate

C28H57N3O7Si2 — CID 174021807

IUPACtert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCn1nc(CO[Si](C)(C)C(C)(C)C)cc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57N3O7Si2/c1-26(2,3)38-25(32)30-35-19-18-34-17-16-33-15-14-31-24(22-37-40(12,13)28(7,8)9)20-23(29-31)21-36-39(10,11)27(4,5)6/h20H,14-19,21-22H2,1-13H3,(H,30,32)
InChIKeyKTGVHHVFLUVXLX-UHFFFAOYSA-N
MW603.95 g/mol
LogP6.42
Rot. Bonds16

About tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate

tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate (PubChem CID 174021807) has the molecular formula C28H57N3O7Si2 and a molecular weight of 603.95 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate
PubChem CID174021807
Molecular FormulaC28H57N3O7Si2
Molecular Weight603.95 g/mol
Exact Mass603.37
IUPAC Nametert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCn1nc(CO[Si](C)(C)C(C)(C)C)cc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57N3O7Si2/c1-26(2,3)38-25(32)30-35-19-18-34-17-16-33-15-14-31-24(22-37-40(12,13)28(7,8)9)20-23(29-31)21-36-39(10,11)27(4,5)6/h20H,14-19,21-22H2,1-13H3,(H,30,32)
InChIKeyKTGVHHVFLUVXLX-UHFFFAOYSA-N
XLogP6.42
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.95
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate (CID 174021807) is tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate is CC(C)(C)OC(=O)NOCCOCCOCCn1nc(CO[Si](C)(C)C(C)(C)C)cc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate?
The InChIKey is KTGVHHVFLUVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N3O7Si2/c1-26(2,3)38-25(32)30-35-19-18-34-17-16-33-15-14-31-24(22-37-40(12,13)28(7,8)9)20-23(29-31)21-36-39(10,11)27(4,5)6/h20H,14-19,21-22H2,1-13H3,(H,30,32).
What are the key properties of tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate has a molecular weight of 603.95 g/mol, XLogP of 6.42, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate is sourced from PubChem (CID 174021807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).