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

C14H26OSi — CID 101231318

IUPAC(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
SMILESC/C=C/C(=C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26OSi/c1-8-9-14(10-15)16(11(2)3,12(4)5)13(6)7/h8-9,11-13H,1-7H3/b9-8+
InChIKeyRRYYMYNCPUWDAX-CMDGGOBGSA-N
MW238.45 g/mol
LogP4.54
Rot. Bonds5

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

(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one (PubChem CID 101231318) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one.

Molecular Properties

Compound Name(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
PubChem CID101231318
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
SMILESC/C=C/C(=C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26OSi/c1-8-9-14(10-15)16(11(2)3,12(4)5)13(6)7/h8-9,11-13H,1-7H3/b9-8+
InChIKeyRRYYMYNCPUWDAX-CMDGGOBGSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.54
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

(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one
CID 10799292
(3E)-3-methyl-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
CID 10999555
(3E)-3-methyl-2-triethylsilylpenta-1,3-dien-1-one
CID 11769765
2-Tri(propan-2-yl)silylbuta-1,3-dien-1-one
CID 90893659
4-(Trimethylsilyl)buta-1,3-dien-1-one
CID 53427574
1-[Diacetyl(but-2-enyl)silyl]ethanone
CID 57229309
1-(1H-silonin-1-yl)ethanone
CID 175804996
1-(Silocin-1-yl)ethanone
CID 176105562
(3E)-4-trimethylsilylbuta-1,3-dien-1-one
CID 53471603
3-Methyl-2-(triethylsilyl)penta-1,3-dien-1-one
CID 71358280
(3Z)-4-trimethylsilylbuta-1,3-dien-1-one
CID 177494999

Frequently Asked Questions

What is the IUPAC name of (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
The IUPAC name of (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one (CID 101231318) is (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one.
What is the SMILES notation for (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
The canonical SMILES for (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one is C/C=C/C(=C=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
The InChIKey is RRYYMYNCPUWDAX-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26OSi/c1-8-9-14(10-15)16(11(2)3,12(4)5)13(6)7/h8-9,11-13H,1-7H3/b9-8+.
What are the key properties of (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one?
(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one has a molecular weight of 238.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one is sourced from PubChem (CID 101231318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).