[ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate

C11H22O3Si — CID 86039065

IUPAC[ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate
SMILESC=CCC(C)(C)C(=O)O[Si](C)(C)OCC
InChIInChI=1S/C11H22O3Si/c1-7-9-11(3,4)10(12)14-15(5,6)13-8-2/h7H,1,8-9H2,2-6H3
InChIKeyDWECCSLIPBMGKH-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.87
Rot. Bonds6

About [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate

[ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate (PubChem CID 86039065) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate.

Molecular Properties

Compound Name[ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate
PubChem CID86039065
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name[ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate
SMILESC=CCC(C)(C)C(=O)O[Si](C)(C)OCC
InChIInChI=1S/C11H22O3Si/c1-7-9-11(3,4)10(12)14-15(5,6)13-8-2/h7H,1,8-9H2,2-6H3
InChIKeyDWECCSLIPBMGKH-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate?
The IUPAC name of [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate (CID 86039065) is [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate.
What is the SMILES notation for [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate?
The canonical SMILES for [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate is C=CCC(C)(C)C(=O)O[Si](C)(C)OCC.
What is the InChIKey of [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate?
The InChIKey is DWECCSLIPBMGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-9-11(3,4)10(12)14-15(5,6)13-8-2/h7H,1,8-9H2,2-6H3.
What are the key properties of [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate?
[ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate has a molecular weight of 230.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(dimethyl)silyl] 2,2-dimethylpent-4-enoate is sourced from PubChem (CID 86039065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).