triethylsilyl 2,2-dimethylpent-4-enoate

C13H26O2Si — CID 11425035

IUPACtriethylsilyl 2,2-dimethylpent-4-enoate
SMILESC=CCC(C)(C)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H26O2Si/c1-7-11-13(5,6)12(14)15-16(8-2,9-3)10-4/h7H,1,8-11H2,2-6H3
InChIKeyZQCDDIKURMLFQX-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.14
Rot. Bonds7

About triethylsilyl 2,2-dimethylpent-4-enoate

triethylsilyl 2,2-dimethylpent-4-enoate (PubChem CID 11425035) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is triethylsilyl 2,2-dimethylpent-4-enoate.

Molecular Properties

Compound Nametriethylsilyl 2,2-dimethylpent-4-enoate
PubChem CID11425035
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametriethylsilyl 2,2-dimethylpent-4-enoate
SMILESC=CCC(C)(C)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H26O2Si/c1-7-11-13(5,6)12(14)15-16(8-2,9-3)10-4/h7H,1,8-11H2,2-6H3
InChIKeyZQCDDIKURMLFQX-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2,2-dimethylpent-4-enoate?
The IUPAC name of triethylsilyl 2,2-dimethylpent-4-enoate (CID 11425035) is triethylsilyl 2,2-dimethylpent-4-enoate.
What is the SMILES notation for triethylsilyl 2,2-dimethylpent-4-enoate?
The canonical SMILES for triethylsilyl 2,2-dimethylpent-4-enoate is C=CCC(C)(C)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl 2,2-dimethylpent-4-enoate?
The InChIKey is ZQCDDIKURMLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-11-13(5,6)12(14)15-16(8-2,9-3)10-4/h7H,1,8-11H2,2-6H3.
What are the key properties of triethylsilyl 2,2-dimethylpent-4-enoate?
triethylsilyl 2,2-dimethylpent-4-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2,2-dimethylpent-4-enoate is sourced from PubChem (CID 11425035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).