methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate

C16H33NO3Si — CID 59249428

IUPACmethyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
SMILESCOC(=O)C/N=C/CC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)21(7,8)20-12-10-16(4,5)9-11-17-13-14(18)19-6/h11H,9-10,12-13H2,1-8H3/b17-11+
InChIKeyQGGSFXQMLTXQBJ-GZTJUZNOSA-N
MW315.53 g/mol
LogP4.06
Rot. Bonds8

About methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate

methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate (PubChem CID 59249428) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
PubChem CID59249428
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Namemethyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
SMILESCOC(=O)C/N=C/CC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)21(7,8)20-12-10-16(4,5)9-11-17-13-14(18)19-6/h11H,9-10,12-13H2,1-8H3/b17-11+
InChIKeyQGGSFXQMLTXQBJ-GZTJUZNOSA-N
XLogP4.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
CID 158210837
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
CID 59249507
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3,3-dimethylpentanal
CID 86640420
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
CID 59364516
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethylideneamino]acetate
CID 59249624
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
CID 21261679
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 86629066

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
The IUPAC name of methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate (CID 59249428) is methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
The canonical SMILES for methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate is COC(=O)C/N=C/CC(C)(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
The InChIKey is QGGSFXQMLTXQBJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-15(2,3)21(7,8)20-12-10-16(4,5)9-11-17-13-14(18)19-6/h11H,9-10,12-13H2,1-8H3/b17-11+.
What are the key properties of methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate has a molecular weight of 315.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate is sourced from PubChem (CID 59249428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).