2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane

C35H72BrN5O4Si2 — CID 164977134

IUPAC2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane
SMILESC.C.C.C=C(CCCO[Si](C)(C)C(C)(C)C)n1cccn1.C=C(NC(=O)OC(C)(C)C)n1cccn1.CC(C)(C)[Si](C)(C)OCCBr
InChIInChI=1S/C14H26N2OSi.C10H15N3O2.C8H19BrOSi.3CH4/c1-13(16-11-8-10-15-16)9-7-12-17-18(5,6)14(2,3)4;1-8(13-7-5-6-11-13)12-9(14)15-10(2,3)4;1-8(2,3)11(4,5)10-7-6-9;;;/h8,10-11H,1,7,9,12H2,2-6H3;5-7H,1H2,2-4H3,(H,12,14);6-7H2,1-5H3;3*1H4
InChIKeyDYFJAPPOAUWCCV-UHFFFAOYSA-N
MW763.07 g/mol
LogP11.30
Rot. Bonds11

About 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane

2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane (PubChem CID 164977134) has the molecular formula C35H72BrN5O4Si2 and a molecular weight of 763.07 g/mol. Its IUPAC name is 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane.

Molecular Properties

Compound Name2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane
PubChem CID164977134
Molecular FormulaC35H72BrN5O4Si2
Molecular Weight763.07 g/mol
Exact Mass761.43
IUPAC Name2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane
SMILESC.C.C.C=C(CCCO[Si](C)(C)C(C)(C)C)n1cccn1.C=C(NC(=O)OC(C)(C)C)n1cccn1.CC(C)(C)[Si](C)(C)OCCBr
InChIInChI=1S/C14H26N2OSi.C10H15N3O2.C8H19BrOSi.3CH4/c1-13(16-11-8-10-15-16)9-7-12-17-18(5,6)14(2,3)4;1-8(13-7-5-6-11-13)12-9(14)15-10(2,3)4;1-8(2,3)11(4,5)10-7-6-9;;;/h8,10-11H,1,7,9,12H2,2-6H3;5-7H,1H2,2-4H3,(H,12,14);6-7H2,1-5H3;3*1H4
InChIKeyDYFJAPPOAUWCCV-UHFFFAOYSA-N
XLogP11.30
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.07
LogP ≤ 511.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane?
The IUPAC name of 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane (CID 164977134) is 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane.
What is the SMILES notation for 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane?
The canonical SMILES for 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane is C.C.C.C=C(CCCO[Si](C)(C)C(C)(C)C)n1cccn1.C=C(NC(=O)OC(C)(C)C)n1cccn1.CC(C)(C)[Si](C)(C)OCCBr.
What is the InChIKey of 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane?
The InChIKey is DYFJAPPOAUWCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OSi.C10H15N3O2.C8H19BrOSi.3CH4/c1-13(16-11-8-10-15-16)9-7-12-17-18(5,6)14(2,3)4;1-8(13-7-5-6-11-13)12-9(14)15-10(2,3)4;1-8(2,3)11(4,5)10-7-6-9;;;/h8,10-11H,1,7,9,12H2,2-6H3;5-7H,1H2,2-4H3,(H,12,14);6-7H2,1-5H3;3*1H4.
What are the key properties of 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane?
2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane has a molecular weight of 763.07 g/mol, XLogP of 11.30, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(4-pyrazol-1-ylpent-4-enoxy)silane;tert-butyl N-(1-pyrazol-1-ylethenyl)carbamate;methane is sourced from PubChem (CID 164977134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).