propylsilyl 2-methylprop-2-enoate

C7H14O2Si — CID 123334140

IUPACpropylsilyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH2]CCC
InChIInChI=1S/C7H14O2Si/c1-4-5-10-9-7(8)6(2)3/h2,4-5,10H2,1,3H3
InChIKeyDZEQPWXBICXXGL-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.02
Rot. Bonds4

About propylsilyl 2-methylprop-2-enoate

propylsilyl 2-methylprop-2-enoate (PubChem CID 123334140) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is propylsilyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namepropylsilyl 2-methylprop-2-enoate
PubChem CID123334140
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namepropylsilyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH2]CCC
InChIInChI=1S/C7H14O2Si/c1-4-5-10-9-7(8)6(2)3/h2,4-5,10H2,1,3H3
InChIKeyDZEQPWXBICXXGL-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.02
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propylsilyl 2-methylprop-2-enoate?
The IUPAC name of propylsilyl 2-methylprop-2-enoate (CID 123334140) is propylsilyl 2-methylprop-2-enoate.
What is the SMILES notation for propylsilyl 2-methylprop-2-enoate?
The canonical SMILES for propylsilyl 2-methylprop-2-enoate is C=C(C)C(=O)O[SiH2]CCC.
What is the InChIKey of propylsilyl 2-methylprop-2-enoate?
The InChIKey is DZEQPWXBICXXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-4-5-10-9-7(8)6(2)3/h2,4-5,10H2,1,3H3.
What are the key properties of propylsilyl 2-methylprop-2-enoate?
propylsilyl 2-methylprop-2-enoate has a molecular weight of 158.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylsilyl 2-methylprop-2-enoate is sourced from PubChem (CID 123334140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).