4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one

C18H36O3Si2 — CID 58946978

IUPAC4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one
SMILESCCCC[Si](C)(C)C(C)(C)O[Si](C)(C)C1C=C(C)C(=O)OCC1
InChIInChI=1S/C18H36O3Si2/c1-9-10-13-22(5,6)18(3,4)21-23(7,8)16-11-12-20-17(19)15(2)14-16/h14,16H,9-13H2,1-8H3
InChIKeyVQSJFLYCJQITCS-UHFFFAOYSA-N
MW356.66 g/mol
LogP5.30
Rot. Bonds7

About 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one

4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one (PubChem CID 58946978) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one.

Molecular Properties

Compound Name4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one
PubChem CID58946978
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Name4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one
SMILESCCCC[Si](C)(C)C(C)(C)O[Si](C)(C)C1C=C(C)C(=O)OCC1
InChIInChI=1S/C18H36O3Si2/c1-9-10-13-22(5,6)18(3,4)21-23(7,8)16-11-12-20-17(19)15(2)14-16/h14,16H,9-13H2,1-8H3
InChIKeyVQSJFLYCJQITCS-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one with MolForge

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Related Compounds

(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 11186348
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
(3E)-3-[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butylidene]oxolan-2-one
CID 25137599
(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-2,3-dihydropyran-6-one
CID 46180224
ethyl (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enoate
CID 49788313
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
CID 86153059
CID 86153059

Frequently Asked Questions

What is the IUPAC name of 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one?
The IUPAC name of 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one (CID 58946978) is 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one.
What is the SMILES notation for 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one?
The canonical SMILES for 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one is CCCC[Si](C)(C)C(C)(C)O[Si](C)(C)C1C=C(C)C(=O)OCC1.
What is the InChIKey of 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one?
The InChIKey is VQSJFLYCJQITCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-9-10-13-22(5,6)18(3,4)21-23(7,8)16-11-12-20-17(19)15(2)14-16/h14,16H,9-13H2,1-8H3.
What are the key properties of 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one?
4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one has a molecular weight of 356.66 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-6-methyl-3,4-dihydro-2H-oxepin-7-one is sourced from PubChem (CID 58946978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).