(4-methylphenyl)silyl buta-2,3-dienoate

C11H12O2Si — CID 123785549

IUPAC(4-methylphenyl)silyl buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH2]c1ccc(C)cc1
InChIInChI=1S/C11H12O2Si/c1-3-4-11(12)13-14-10-7-5-9(2)6-8-10/h4-8H,1,14H2,2H3
InChIKeyMMWLJNIDSVXHRV-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.59
Rot. Bonds3

About (4-methylphenyl)silyl buta-2,3-dienoate

(4-methylphenyl)silyl buta-2,3-dienoate (PubChem CID 123785549) has the molecular formula C11H12O2Si and a molecular weight of 204.30 g/mol. Its IUPAC name is (4-methylphenyl)silyl buta-2,3-dienoate.

Molecular Properties

Compound Name(4-methylphenyl)silyl buta-2,3-dienoate
PubChem CID123785549
Molecular FormulaC11H12O2Si
Molecular Weight204.30 g/mol
Exact Mass204.06
IUPAC Name(4-methylphenyl)silyl buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH2]c1ccc(C)cc1
InChIInChI=1S/C11H12O2Si/c1-3-4-11(12)13-14-10-7-5-9(2)6-8-10/h4-8H,1,14H2,2H3
InChIKeyMMWLJNIDSVXHRV-UHFFFAOYSA-N
XLogP0.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)buta-2,3-dien-1-one
CID 15525531
1-(4-methylphenyl)buta-2,3-dienyl acetate
CID 102219271
prop-2-enoic acid;1,4-xylene
CID 67822281
1-methyl-4-propa-1,2-dienoxybenzene
CID 86151206
bis(4-methylphenyl)silane
CID 4638543
carbonic acid;1,4-xylene
CID 89415214
hydroxy-(4-methylphenyl)silane
CID 123825028
cyano 3-cyano-3-(4-methylphenyl)prop-2-enoate
CID 174971130
1-(4-acetylphenyl)pyrrole-2,5-dione;ethane;ethene;methane;methyl buta-2,3-dienoate;1-(4-methylphenyl)ethanone;1-(4-methylphenyl)pyrrole-2,5-dione;propane;prop-1-ene;1,4-xylene;dihydrate
CID 159289453
dimethyl (2R,3R)-2,3-dicyano-2,3-bis(4-methylphenyl)butanedioate
CID 170847975
2-cyanoethyl prop-2-enoate;1,4-xylene
CID 67852962
prop-2-enoyl prop-2-enoate;toluene
CID 159749457

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)silyl buta-2,3-dienoate?
The IUPAC name of (4-methylphenyl)silyl buta-2,3-dienoate (CID 123785549) is (4-methylphenyl)silyl buta-2,3-dienoate.
What is the SMILES notation for (4-methylphenyl)silyl buta-2,3-dienoate?
The canonical SMILES for (4-methylphenyl)silyl buta-2,3-dienoate is C=C=CC(=O)O[SiH2]c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)silyl buta-2,3-dienoate?
The InChIKey is MMWLJNIDSVXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2Si/c1-3-4-11(12)13-14-10-7-5-9(2)6-8-10/h4-8H,1,14H2,2H3.
What are the key properties of (4-methylphenyl)silyl buta-2,3-dienoate?
(4-methylphenyl)silyl buta-2,3-dienoate has a molecular weight of 204.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)silyl buta-2,3-dienoate is sourced from PubChem (CID 123785549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).