(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one

C13H26O2Si — CID 13067722

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
SMILESCC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(14)10-8-7-9-11-15-16(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+
InChIKeyYUGVYMNCOFTONT-CSKARUKUSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds6

About (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one (PubChem CID 13067722) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
PubChem CID13067722
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
SMILESCC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(14)10-8-7-9-11-15-16(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+
InChIKeyYUGVYMNCOFTONT-CSKARUKUSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': '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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Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one (CID 13067722) is (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one is CC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
The InChIKey is YUGVYMNCOFTONT-CSKARUKUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(14)10-8-7-9-11-15-16(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one?
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one is sourced from PubChem (CID 13067722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).