(2E)-1-trimethylsilylhexa-2,5-dien-1-one

C9H16OSi — CID 11126675

IUPAC(2E)-1-trimethylsilylhexa-2,5-dien-1-one
SMILESC=CC/C=C/C(=O)[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-7-8-9(10)11(2,3)4/h5,7-8H,1,6H2,2-4H3/b8-7+
InChIKeyUBAMTSPQZIPTJS-BQYQJAHWSA-N
MW168.31 g/mol
LogP2.57
Rot. Bonds4

About (2E)-1-trimethylsilylhexa-2,5-dien-1-one

(2E)-1-trimethylsilylhexa-2,5-dien-1-one (PubChem CID 11126675) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (2E)-1-trimethylsilylhexa-2,5-dien-1-one.

Molecular Properties

Compound Name(2E)-1-trimethylsilylhexa-2,5-dien-1-one
PubChem CID11126675
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(2E)-1-trimethylsilylhexa-2,5-dien-1-one
SMILESC=CC/C=C/C(=O)[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-7-8-9(10)11(2,3)4/h5,7-8H,1,6H2,2-4H3/b8-7+
InChIKeyUBAMTSPQZIPTJS-BQYQJAHWSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.57
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-1-trimethylsilylhexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

deca-3,6,9-trien-2-one
CID 139932510
octa-2,4,7-trienoic acid
CID 173345547
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
1-trimethylsilylprop-2-en-1-one
CID 642585
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
trimethyl-[(1E)-penta-1,4-dienyl]silane
CID 12533407
acetic acid;hexa-1,4-diene
CID 174398643
6,7-difluoroocta-1,4,6-triene
CID 91531817
methyl (4E)-octa-4,7-dienoate
CID 10986465
4-(prop-2-enylamino)but-2-enoic acid
CID 174638295
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511
(3E)-N,N-dimethylhepta-3,6-dienamide
CID 88571457

Frequently Asked Questions

What is the IUPAC name of (2E)-1-trimethylsilylhexa-2,5-dien-1-one?
The IUPAC name of (2E)-1-trimethylsilylhexa-2,5-dien-1-one (CID 11126675) is (2E)-1-trimethylsilylhexa-2,5-dien-1-one.
What is the SMILES notation for (2E)-1-trimethylsilylhexa-2,5-dien-1-one?
The canonical SMILES for (2E)-1-trimethylsilylhexa-2,5-dien-1-one is C=CC/C=C/C(=O)[Si](C)(C)C.
What is the InChIKey of (2E)-1-trimethylsilylhexa-2,5-dien-1-one?
The InChIKey is UBAMTSPQZIPTJS-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16OSi/c1-5-6-7-8-9(10)11(2,3)4/h5,7-8H,1,6H2,2-4H3/b8-7+.
What are the key properties of (2E)-1-trimethylsilylhexa-2,5-dien-1-one?
(2E)-1-trimethylsilylhexa-2,5-dien-1-one has a molecular weight of 168.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-trimethylsilylhexa-2,5-dien-1-one is sourced from PubChem (CID 11126675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).