1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate

C17H26N2O4Si — CID 85160727

IUPAC1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OC(CC)c1ccoc1
InChIInChI=1S/C17H26N2O4Si/c1-8-14(13-9-10-21-11-13)22-16(20)15(19-18)12(2)23-24(6,7)17(3,4)5/h9-11,14H,2,8H2,1,3-7H3
InChIKeyJNPXVBVWRMOKJA-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.48
Rot. Bonds7

About 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate

1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate (PubChem CID 85160727) has the molecular formula C17H26N2O4Si and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate.

Molecular Properties

Compound Name1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
PubChem CID85160727
Molecular FormulaC17H26N2O4Si
Molecular Weight350.49 g/mol
Exact Mass350.17
IUPAC Name1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OC(CC)c1ccoc1
InChIInChI=1S/C17H26N2O4Si/c1-8-14(13-9-10-21-11-13)22-16(20)15(19-18)12(2)23-24(6,7)17(3,4)5/h9-11,14H,2,8H2,1,3-7H3
InChIKeyJNPXVBVWRMOKJA-UHFFFAOYSA-N
XLogP4.48
TPSA85.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
The IUPAC name of 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate (CID 85160727) is 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate.
What is the SMILES notation for 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
The canonical SMILES for 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate is C=C(O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OC(CC)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
The InChIKey is JNPXVBVWRMOKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4Si/c1-8-14(13-9-10-21-11-13)22-16(20)15(19-18)12(2)23-24(6,7)17(3,4)5/h9-11,14H,2,8H2,1,3-7H3.
What are the key properties of 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate?
1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate has a molecular weight of 350.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)propyl 3-[tert-butyl(dimethyl)silyl]oxy-2-diazobut-3-enoate is sourced from PubChem (CID 85160727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).