1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one

C13H28O4Si2 — CID 140777511

IUPAC1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one
SMILESC=CC(=O)COCCCC[Si](C)(C)O[Si](C)(C)OC
InChIInChI=1S/C13H28O4Si2/c1-7-13(14)12-16-10-8-9-11-18(3,4)17-19(5,6)15-2/h7H,1,8-12H2,2-6H3
InChIKeyUGKVYGSDMDFUQN-UHFFFAOYSA-N
MW304.54 g/mol
LogP3.11
Rot. Bonds11

About 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one

1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one (PubChem CID 140777511) has the molecular formula C13H28O4Si2 and a molecular weight of 304.54 g/mol. Its IUPAC name is 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one.

Molecular Properties

Compound Name1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one
PubChem CID140777511
Molecular FormulaC13H28O4Si2
Molecular Weight304.54 g/mol
Exact Mass304.15
IUPAC Name1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one
SMILESC=CC(=O)COCCCC[Si](C)(C)O[Si](C)(C)OC
InChIInChI=1S/C13H28O4Si2/c1-7-13(14)12-16-10-8-9-11-18(3,4)17-19(5,6)15-2/h7H,1,8-12H2,2-6H3
InChIKeyUGKVYGSDMDFUQN-UHFFFAOYSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propoxy]but-3-en-2-one
CID 140777508
4-[methoxy(dimethyl)silyl]butyl 2-methylprop-2-enoate;4-[methoxy(dimethyl)silyl]butyl prop-2-enoate;1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one;1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]-3-methylbut-3-en-2-one;1-[3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propoxy]but-3-en-2-one;1-[3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-3-methylbut-3-en-2-one;3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;5-[methoxy(dimethyl)silyl]pentyl 2-methylprop-2-enoate;5-[methoxy(dimethyl)silyl]pentyl prop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl prop-2-enoate
CID 161047709
3-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 150144614
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
4-[[[[[[[[[[[[[[[[[[[[[[[[[4-ethenoxycarbonyloxybutyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butyl ethenyl carbonate
CID 91076405
6-(2-oxobut-3-enoxy)hex-1-en-3-one
CID 147998253
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl ethenyl carbonate;ethane;ethenyl methyl carbonate
CID 91571550
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
CID 160758382
hydroxy-[[[7-methoxyheptyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 162713129
methane;[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]methyl prop-2-enoate;trimethylsilylmethyl prop-2-enoate
CID 159814763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one?
The IUPAC name of 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one (CID 140777511) is 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one.
What is the SMILES notation for 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one?
The canonical SMILES for 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one is C=CC(=O)COCCCC[Si](C)(C)O[Si](C)(C)OC.
What is the InChIKey of 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one?
The InChIKey is UGKVYGSDMDFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-7-13(14)12-16-10-8-9-11-18(3,4)17-19(5,6)15-2/h7H,1,8-12H2,2-6H3.
What are the key properties of 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one?
1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one has a molecular weight of 304.54 g/mol, XLogP of 3.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one is sourced from PubChem (CID 140777511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).