(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one

C10H16OSi — CID 14295008

IUPAC(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one
SMILESC=C=C(/C=C/C(C)=O)[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-6-10(12(3,4)5)8-7-9(2)11/h7-8H,1H2,2-5H3/b8-7+
InChIKeyIQZMJLAWNCYBSF-BQYQJAHWSA-N
MW180.32 g/mol
LogP2.72
Rot. Bonds3

About (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one

(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one (PubChem CID 14295008) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one.

Molecular Properties

Compound Name(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one
PubChem CID14295008
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one
SMILESC=C=C(/C=C/C(C)=O)[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-6-10(12(3,4)5)8-7-9(2)11/h7-8H,1H2,2-5H3/b8-7+
InChIKeyIQZMJLAWNCYBSF-BQYQJAHWSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one?
The IUPAC name of (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one (CID 14295008) is (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one.
What is the SMILES notation for (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one?
The canonical SMILES for (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one is C=C=C(/C=C/C(C)=O)[Si](C)(C)C.
What is the InChIKey of (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one?
The InChIKey is IQZMJLAWNCYBSF-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16OSi/c1-6-10(12(3,4)5)8-7-9(2)11/h7-8H,1H2,2-5H3/b8-7+.
What are the key properties of (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one?
(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one has a molecular weight of 180.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-trimethylsilylhepta-3,5,6-trien-2-one is sourced from PubChem (CID 14295008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).