(E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one

C14H28O2Si — CID 140810759

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one
SMILESCC(=O)/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-12(11-13(2)15)9-8-10-16-17(6,7)14(3,4)5/h11H,8-10H2,1-7H3/b12-11+
InChIKeyLRDYQVONNZXOKW-VAWYXSNFSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds6

About (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one

(E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one (PubChem CID 140810759) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one
PubChem CID140810759
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one
SMILESCC(=O)/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-12(11-13(2)15)9-8-10-16-17(6,7)14(3,4)5/h11H,8-10H2,1-7H3/b12-11+
InChIKeyLRDYQVONNZXOKW-VAWYXSNFSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
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]oxy-4-methylhept-3-en-2-one?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one (CID 140810759) is (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one is CC(=O)/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one?
The InChIKey is LRDYQVONNZXOKW-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-12(11-13(2)15)9-8-10-16-17(6,7)14(3,4)5/h11H,8-10H2,1-7H3/b12-11+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one?
(E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-3-en-2-one has a molecular weight of 256.46 g/mol, XLogP of 4.32, 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]oxy-4-methylhept-3-en-2-one is sourced from PubChem (CID 140810759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).