3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate

C14H28O2Si — CID 91593558

IUPAC3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
SMILESC=C(C)C(C)(C)CC(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-12(2)14(3,4)11-13(15)16-9-8-10-17(5,6)7/h1,8-11H2,2-7H3
InChIKeyLYYPSIBWMMMIAN-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.25
Rot. Bonds7

About 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate

3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate (PubChem CID 91593558) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate.

Molecular Properties

Compound Name3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
PubChem CID91593558
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
SMILESC=C(C)C(C)(C)CC(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-12(2)14(3,4)11-13(15)16-9-8-10-17(5,6)7/h1,8-11H2,2-7H3
InChIKeyLYYPSIBWMMMIAN-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate?
The IUPAC name of 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate (CID 91593558) is 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate.
What is the SMILES notation for 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate?
The canonical SMILES for 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate is C=C(C)C(C)(C)CC(=O)OCCC[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate?
The InChIKey is LYYPSIBWMMMIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-12(2)14(3,4)11-13(15)16-9-8-10-17(5,6)7/h1,8-11H2,2-7H3.
What are the key properties of 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate?
3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate is sourced from PubChem (CID 91593558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).