2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate

C16H26O4Si — CID 158281273

IUPAC2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate
SMILESCC(C)(C)C#CC[C@]1(C(=O)OCC[Si](C)(C)C)CC(=O)O1
InChIInChI=1S/C16H26O4Si/c1-15(2,3)8-7-9-16(12-13(17)20-16)14(18)19-10-11-21(4,5)6/h9-12H2,1-6H3/t16-/m1/s1
InChIKeyQJUKJJMAHRKOLR-MRXNPFEDSA-N
MW310.47 g/mol
LogP2.99
Rot. Bonds5

About 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate

2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate (PubChem CID 158281273) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate
PubChem CID158281273
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate
SMILESCC(C)(C)C#CC[C@]1(C(=O)OCC[Si](C)(C)C)CC(=O)O1
InChIInChI=1S/C16H26O4Si/c1-15(2,3)8-7-9-16(12-13(17)20-16)14(18)19-10-11-21(4,5)6/h9-12H2,1-6H3/t16-/m1/s1
InChIKeyQJUKJJMAHRKOLR-MRXNPFEDSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', '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-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate?
The IUPAC name of 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate (CID 158281273) is 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate is CC(C)(C)C#CC[C@]1(C(=O)OCC[Si](C)(C)C)CC(=O)O1.
What is the InChIKey of 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate?
The InChIKey is QJUKJJMAHRKOLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-15(2,3)8-7-9-16(12-13(17)20-16)14(18)19-10-11-21(4,5)6/h9-12H2,1-6H3/t16-/m1/s1.
What are the key properties of 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate?
2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate has a molecular weight of 310.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2R)-2-(4,4-dimethylpent-2-ynyl)-4-oxooxetane-2-carboxylate is sourced from PubChem (CID 158281273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).