3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one

C19H28OSi — CID 101231317

IUPAC3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
SMILESC=C(C(=C=O)[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C19H28OSi/c1-14(2)21(15(3)4,16(5)6)19(13-20)17(7)18-11-9-8-10-12-18/h8-12,14-16H,7H2,1-6H3
InChIKeyFXKIBMQQTQDVKA-UHFFFAOYSA-N
MW300.52 g/mol
LogP5.68
Rot. Bonds6

About 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one

3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one (PubChem CID 101231317) has the molecular formula C19H28OSi and a molecular weight of 300.52 g/mol. Its IUPAC name is 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one.

Molecular Properties

Compound Name3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
PubChem CID101231317
Molecular FormulaC19H28OSi
Molecular Weight300.52 g/mol
Exact Mass300.19
IUPAC Name3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
SMILESC=C(C(=C=O)[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C19H28OSi/c1-14(2)21(15(3)4,16(5)6)19(13-20)17(7)18-11-9-8-10-12-18/h8-12,14-16H,7H2,1-6H3
InChIKeyFXKIBMQQTQDVKA-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.52
LogP ≤ 55.68
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

1-phenylethenyl-tri(propan-2-yl)silane
CID 102241725
ethane;2-phenylprop-2-enoic acid
CID 142472843
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
CID 159091938
CID 159091938
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
CID 102170630
1,1-diphenyl-2-tri(propan-2-yl)silylprop-2-en-1-ol
CID 102344932
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
2-methyl-3-phenylbut-3-enal
CID 22151894
hydroxymethyl 2-phenylprop-2-enoate
CID 174271126
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
The IUPAC name of 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one (CID 101231317) is 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one.
What is the SMILES notation for 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
The canonical SMILES for 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one is C=C(C(=C=O)[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
The InChIKey is FXKIBMQQTQDVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi/c1-14(2)21(15(3)4,16(5)6)19(13-20)17(7)18-11-9-8-10-12-18/h8-12,14-16H,7H2,1-6H3.
What are the key properties of 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one has a molecular weight of 300.52 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one is sourced from PubChem (CID 101231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).