(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one

C15H28OSi — CID 10999555

IUPAC(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
SMILESC/C=C(\C)C(=C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-9-14(8)15(10-16)17(11(2)3,12(4)5)13(6)7/h9,11-13H,1-8H3/b14-9+
InChIKeyROWKGOCEDVNMDR-NTEUORMPSA-N
MW252.47 g/mol
LogP4.93
Rot. Bonds5

About (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one

(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one (PubChem CID 10999555) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one.

Molecular Properties

Compound Name(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
PubChem CID10999555
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
SMILESC/C=C(\C)C(=C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-9-14(8)15(10-16)17(11(2)3,12(4)5)13(6)7/h9,11-13H,1-8H3/b14-9+
InChIKeyROWKGOCEDVNMDR-NTEUORMPSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
The IUPAC name of (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one (CID 10999555) is (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one.
What is the SMILES notation for (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
The canonical SMILES for (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one is C/C=C(\C)C(=C=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
The InChIKey is ROWKGOCEDVNMDR-NTEUORMPSA-N. The full InChI is InChI=1S/C15H28OSi/c1-9-14(8)15(10-16)17(11(2)3,12(4)5)13(6)7/h9,11-13H,1-8H3/b14-9+.
What are the key properties of (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one has a molecular weight of 252.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one is sourced from PubChem (CID 10999555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).