methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate

C22H47NO5Si2 — CID 135012782

IUPACmethyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate
SMILESCCC(C=C(COCOCC[Si](C)(C)C)N(CC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H47NO5Si2/c1-12-20(28-30(10,11)22(3,4)5)16-19(23(13-2)21(24)25-6)17-27-18-26-14-15-29(7,8)9/h16,20H,12-15,17-18H2,1-11H3
InChIKeyZAMPMJHWLULMOG-UHFFFAOYSA-N
MW461.79 g/mol
LogP6.09
Rot. Bonds13

About methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate

methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate (PubChem CID 135012782) has the molecular formula C22H47NO5Si2 and a molecular weight of 461.79 g/mol. Its IUPAC name is methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate
PubChem CID135012782
Molecular FormulaC22H47NO5Si2
Molecular Weight461.79 g/mol
Exact Mass461.30
IUPAC Namemethyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate
SMILESCCC(C=C(COCOCC[Si](C)(C)C)N(CC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H47NO5Si2/c1-12-20(28-30(10,11)22(3,4)5)16-19(23(13-2)21(24)25-6)17-27-18-26-14-15-29(7,8)9/h16,20H,12-15,17-18H2,1-11H3
InChIKeyZAMPMJHWLULMOG-UHFFFAOYSA-N
XLogP6.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.79
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate
CID 155679523
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
2-trimethylsilylethyl (3S)-7-acetylsulfanyl-3-[tert-butyl(dimethyl)silyl]oxyhept-4-enoate
CID 123987237
[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(2-trimethylsilylethoxymethoxymethyl)-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134864606
2-trimethylsilylethyl (E,3S)-7-butanoylsulfanyl-3-[tert-butyl(dimethyl)silyl]oxyhept-4-enoate
CID 90362165
2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal
CID 87954580
11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
CID 173373978
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 42642875
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate?
The IUPAC name of methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate (CID 135012782) is methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate is CCC(C=C(COCOCC[Si](C)(C)C)N(CC)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate?
The InChIKey is ZAMPMJHWLULMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO5Si2/c1-12-20(28-30(10,11)22(3,4)5)16-19(23(13-2)21(24)25-6)17-27-18-26-14-15-29(7,8)9/h16,20H,12-15,17-18H2,1-11H3.
What are the key properties of methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate?
methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate has a molecular weight of 461.79 g/mol, XLogP of 6.09, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate is sourced from PubChem (CID 135012782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).