2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one

C18H38O2Si2 — CID 101175589

IUPAC2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one
SMILESCCC(CC)C(=O)[Si](C)(C)CC[Si](C)(C)C(=O)C(CC)CC
InChIInChI=1S/C18H38O2Si2/c1-9-15(10-2)17(19)21(5,6)13-14-22(7,8)18(20)16(11-3)12-4/h15-16H,9-14H2,1-8H3
InChIKeySANLPKVDHIMSAW-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.49
Rot. Bonds11

About 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one

2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one (PubChem CID 101175589) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one
PubChem CID101175589
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one
SMILESCCC(CC)C(=O)[Si](C)(C)CC[Si](C)(C)C(=O)C(CC)CC
InChIInChI=1S/C18H38O2Si2/c1-9-15(10-2)17(19)21(5,6)13-14-22(7,8)18(20)16(11-3)12-4/h15-16H,9-14H2,1-8H3
InChIKeySANLPKVDHIMSAW-UHFFFAOYSA-N
XLogP5.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one?
The IUPAC name of 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one (CID 101175589) is 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one is CCC(CC)C(=O)[Si](C)(C)CC[Si](C)(C)C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one?
The InChIKey is SANLPKVDHIMSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-9-15(10-2)17(19)21(5,6)13-14-22(7,8)18(20)16(11-3)12-4/h15-16H,9-14H2,1-8H3.
What are the key properties of 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one?
2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one has a molecular weight of 342.67 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one is sourced from PubChem (CID 101175589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).