6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one

C13H26O2Si — CID 139985476

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
SMILESCC(=O)C=CCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(14)9-8-10-12(2)15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3
InChIKeyMAQOKRLYPQJZLU-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds5

About 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one

6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one (PubChem CID 139985476) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
PubChem CID139985476
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
SMILESCC(=O)C=CCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(14)9-8-10-12(2)15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3
InChIKeyMAQOKRLYPQJZLU-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one (CID 139985476) is 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one is CC(=O)C=CCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
The InChIKey is MAQOKRLYPQJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(14)9-8-10-12(2)15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one is sourced from PubChem (CID 139985476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).