(E)-1-trimethylsilylhept-2-en-1-one

C10H20OSi — CID 12611134

IUPAC(E)-1-trimethylsilylhept-2-en-1-one
SMILESCCCC/C=C/C(=O)[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+
InChIKeyILTOLQKVYGHGLD-CMDGGOBGSA-N
MW184.35 g/mol
LogP3.18
Rot. Bonds5

About (E)-1-trimethylsilylhept-2-en-1-one

(E)-1-trimethylsilylhept-2-en-1-one (PubChem CID 12611134) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is (E)-1-trimethylsilylhept-2-en-1-one.

Molecular Properties

Compound Name(E)-1-trimethylsilylhept-2-en-1-one
PubChem CID12611134
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(E)-1-trimethylsilylhept-2-en-1-one
SMILESCCCC/C=C/C(=O)[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+
InChIKeyILTOLQKVYGHGLD-CMDGGOBGSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-1-trimethylsilylhept-2-en-1-one?
The IUPAC name of (E)-1-trimethylsilylhept-2-en-1-one (CID 12611134) is (E)-1-trimethylsilylhept-2-en-1-one.
What is the SMILES notation for (E)-1-trimethylsilylhept-2-en-1-one?
The canonical SMILES for (E)-1-trimethylsilylhept-2-en-1-one is CCCC/C=C/C(=O)[Si](C)(C)C.
What is the InChIKey of (E)-1-trimethylsilylhept-2-en-1-one?
The InChIKey is ILTOLQKVYGHGLD-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-1-trimethylsilylhept-2-en-1-one?
(E)-1-trimethylsilylhept-2-en-1-one has a molecular weight of 184.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-trimethylsilylhept-2-en-1-one is sourced from PubChem (CID 12611134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).