methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate

C14H26N2O4Si — CID 102095887

IUPACmethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate
SMILESCC[C@H](CC(=O)C(=[N+]=[N-])C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26N2O4Si/c1-8-10(20-21(6,7)14(2,3)4)9-11(17)12(16-15)13(18)19-5/h10H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyJRFNTSKJYFCSFI-SNVBAGLBSA-N
MW314.46 g/mol
LogP2.59
Rot. Bonds7

About methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate

methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate (PubChem CID 102095887) has the molecular formula C14H26N2O4Si and a molecular weight of 314.46 g/mol. Its IUPAC name is methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate.

Molecular Properties

Compound Namemethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate
PubChem CID102095887
Molecular FormulaC14H26N2O4Si
Molecular Weight314.46 g/mol
Exact Mass314.17
IUPAC Namemethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate
SMILESCC[C@H](CC(=O)C(=[N+]=[N-])C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26N2O4Si/c1-8-10(20-21(6,7)14(2,3)4)9-11(17)12(16-15)13(18)19-5/h10H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyJRFNTSKJYFCSFI-SNVBAGLBSA-N
XLogP2.59
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(furan-3-yl)-3-oxopentanoate
CID 102427386
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-7-(4-nitrophenyl)-3-oxohept-6-enoate
CID 102173385
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
4-diazo-5-methoxy-3,5-dioxopentanoic acid
CID 137256579
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-diazopentan-2-one
CID 135406577
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate?
The IUPAC name of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate (CID 102095887) is methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate.
What is the SMILES notation for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate?
The canonical SMILES for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate is CC[C@H](CC(=O)C(=[N+]=[N-])C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate?
The InChIKey is JRFNTSKJYFCSFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H26N2O4Si/c1-8-10(20-21(6,7)14(2,3)4)9-11(17)12(16-15)13(18)19-5/h10H,8-9H2,1-7H3/t10-/m1/s1.
What are the key properties of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate?
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate has a molecular weight of 314.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate is sourced from PubChem (CID 102095887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).