(E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one

C12H24OSi — CID 5366392

IUPAC(E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one
SMILESCC(C)(C)C(=O)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-12(2,3)11(13)9-7-8-10-14(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyAHHMAUWPUSTLNZ-BQYQJAHWSA-N
MW212.41 g/mol
LogP3.89
Rot. Bonds4

About (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one

(E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one (PubChem CID 5366392) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one.

Molecular Properties

Compound Name(E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one
PubChem CID5366392
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one
SMILESCC(C)(C)C(=O)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-12(2,3)11(13)9-7-8-10-14(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyAHHMAUWPUSTLNZ-BQYQJAHWSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one?
The IUPAC name of (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one (CID 5366392) is (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one.
What is the SMILES notation for (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one?
The canonical SMILES for (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one is CC(C)(C)C(=O)C/C=C/C[Si](C)(C)C.
What is the InChIKey of (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one?
The InChIKey is AHHMAUWPUSTLNZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)11(13)9-7-8-10-14(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one?
(E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one has a molecular weight of 212.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-7-trimethylsilylhept-5-en-3-one is sourced from PubChem (CID 5366392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).