4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid

C10H20N2O3Si — CID 139681349

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N2O3Si/c1-10(2,3)16(4,5)15-7-6-8(12-11)9(13)14/h6-7H2,1-5H3,(H,13,14)
InChIKeyMGLGCCGUALWNJQ-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.15
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid (PubChem CID 139681349) has the molecular formula C10H20N2O3Si and a molecular weight of 244.37 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
PubChem CID139681349
Molecular FormulaC10H20N2O3Si
Molecular Weight244.37 g/mol
Exact Mass244.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N2O3Si/c1-10(2,3)16(4,5)15-7-6-8(12-11)9(13)14/h6-7H2,1-5H3,(H,13,14)
InChIKeyMGLGCCGUALWNJQ-UHFFFAOYSA-N
XLogP2.15
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
CID 87451074
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid (CID 139681349) is 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid is CC(C)(C)[Si](C)(C)OCCC(=[N+]=[N-])C(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
The InChIKey is MGLGCCGUALWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3Si/c1-10(2,3)16(4,5)15-7-6-8(12-11)9(13)14/h6-7H2,1-5H3,(H,13,14).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid has a molecular weight of 244.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid is sourced from PubChem (CID 139681349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).