(4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate

C28H32O2Si — CID 59266081

IUPAC(4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O2Si/c1-23(2)27(29)30-22-14-21-28(3,4)31(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3
InChIKeyXMPMYPCRKFBEAA-UHFFFAOYSA-N
MW428.65 g/mol
LogP4.84
Rot. Bonds9

About (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate

(4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate (PubChem CID 59266081) has the molecular formula C28H32O2Si and a molecular weight of 428.65 g/mol. Its IUPAC name is (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate
PubChem CID59266081
Molecular FormulaC28H32O2Si
Molecular Weight428.65 g/mol
Exact Mass428.22
IUPAC Name(4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O2Si/c1-23(2)27(29)30-22-14-21-28(3,4)31(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3
InChIKeyXMPMYPCRKFBEAA-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 54.84
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate?
The IUPAC name of (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate (CID 59266081) is (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate?
The InChIKey is XMPMYPCRKFBEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2Si/c1-23(2)27(29)30-22-14-21-28(3,4)31(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3.
What are the key properties of (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate?
(4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate has a molecular weight of 428.65 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 59266081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).