prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate

C13H22N2O3Si — CID 173403456

IUPACprop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C13H22N2O3Si/c1-7-8-17-12(16)11(15-14)10(13(2,3)4)9-18-19(5)6/h7,9,19H,1,8H2,2-6H3
InChIKeyAFVKEQLQUJUTPE-UHFFFAOYSA-N
MW282.42 g/mol
LogP2.32
Rot. Bonds6

About prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate

prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate (PubChem CID 173403456) has the molecular formula C13H22N2O3Si and a molecular weight of 282.42 g/mol. Its IUPAC name is prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate
PubChem CID173403456
Molecular FormulaC13H22N2O3Si
Molecular Weight282.42 g/mol
Exact Mass282.14
IUPAC Nameprop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C13H22N2O3Si/c1-7-8-17-12(16)11(15-14)10(13(2,3)4)9-18-19(5)6/h7,9,19H,1,8H2,2-6H3
InChIKeyAFVKEQLQUJUTPE-UHFFFAOYSA-N
XLogP2.32
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl 2-diazo-4-(methylamino)-3-oxobutanoate
CID 170069841
prop-2-enyl (4R)-4-chloro-2-diazo-4-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate
CID 173397078
prop-2-enyl 2-methylidenebutanoate
CID 12684713
prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxobutanoate
CID 57316894
ethyl 2-diazo-4,4,6,6-tetramethyl-3-oxoheptanoate
CID 136635269
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
chloromethane;prop-2-enyl propanoate
CID 174815872
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
2-oxo-2-prop-2-enoxyacetate
CID 18533281
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate
CID 156750246
1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
CID 73084435

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate?
The IUPAC name of prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate (CID 173403456) is prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate.
What is the SMILES notation for prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate?
The canonical SMILES for prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate is C=CCOC(=O)C(=[N+]=[N-])C(=CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate?
The InChIKey is AFVKEQLQUJUTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3Si/c1-7-8-17-12(16)11(15-14)10(13(2,3)4)9-18-19(5)6/h7,9,19H,1,8H2,2-6H3.
What are the key properties of prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate?
prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate has a molecular weight of 282.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-diazo-3-(dimethylsilyloxymethylidene)-4,4-dimethylpentanoate is sourced from PubChem (CID 173403456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).