2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione

C19H24O4Si — CID 102590580

IUPAC2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione
SMILESCc1cccc([C@H](C#C[Si](C)(C)C)C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C19H24O4Si/c1-13-8-7-9-14(12-13)15(10-11-24(4,5)6)16-17(20)22-19(2,3)23-18(16)21/h7-9,12,15-16H,1-6H3/t15-/m0/s1
InChIKeyCWIISFLDRMPPTC-HNNXBMFYSA-N
MW344.48 g/mol
LogP3.41
Rot. Bonds2

About 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione (PubChem CID 102590580) has the molecular formula C19H24O4Si and a molecular weight of 344.48 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione
PubChem CID102590580
Molecular FormulaC19H24O4Si
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione
SMILESCc1cccc([C@H](C#C[Si](C)(C)C)C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C19H24O4Si/c1-13-8-7-9-14(12-13)15(10-11-24(4,5)6)16-17(20)22-19(2,3)23-18(16)21/h7-9,12,15-16H,1-6H3/t15-/m0/s1
InChIKeyCWIISFLDRMPPTC-HNNXBMFYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione (CID 102590580) is 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione is Cc1cccc([C@H](C#C[Si](C)(C)C)C2C(=O)OC(C)(C)OC2=O)c1.
What is the InChIKey of 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione?
The InChIKey is CWIISFLDRMPPTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24O4Si/c1-13-8-7-9-14(12-13)15(10-11-24(4,5)6)16-17(20)22-19(2,3)23-18(16)21/h7-9,12,15-16H,1-6H3/t15-/m0/s1.
What are the key properties of 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione has a molecular weight of 344.48 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(1R)-1-(3-methylphenyl)-3-trimethylsilylprop-2-ynyl]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 102590580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).