(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one

C11H22OSi2 — CID 10799292

IUPAC(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one
SMILESC/C=C(\C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi2/c1-8-10(13(2,3)4)11(9-12)14(5,6)7/h8H,1-7H3/b10-8+
InChIKeyKMILMWDWZYQKIZ-CSKARUKUSA-N
MW226.47 g/mol
LogP3.45
Rot. Bonds3

About (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one

(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one (PubChem CID 10799292) has the molecular formula C11H22OSi2 and a molecular weight of 226.47 g/mol. Its IUPAC name is (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one.

Molecular Properties

Compound Name(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one
PubChem CID10799292
Molecular FormulaC11H22OSi2
Molecular Weight226.47 g/mol
Exact Mass226.12
IUPAC Name(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one
SMILESC/C=C(\C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi2/c1-8-10(13(2,3)4)11(9-12)14(5,6)7/h8H,1-7H3/b10-8+
InChIKeyKMILMWDWZYQKIZ-CSKARUKUSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Bis(trimethylsilyl)penta-1,3,4-trien-1-one
CID 15273820
2-Tri(propan-2-yl)silylbuta-1,3-dien-1-one
CID 90893659
(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
CID 101231318
2,3,5-Tris(trimethylsilyl)penta-1,3,4-trien-1-one
CID 15273819
3-Tri(propan-2-yl)silylprop-1-en-1-one
CID 88092706

Frequently Asked Questions

What is the IUPAC name of (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one?
The IUPAC name of (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one (CID 10799292) is (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one.
What is the SMILES notation for (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one?
The canonical SMILES for (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one is C/C=C(\C(=C=O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one?
The InChIKey is KMILMWDWZYQKIZ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22OSi2/c1-8-10(13(2,3)4)11(9-12)14(5,6)7/h8H,1-7H3/b10-8+.
What are the key properties of (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one?
(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one has a molecular weight of 226.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one is sourced from PubChem (CID 10799292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).