methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate

C17H32O5Si — CID 88652840

IUPACmethyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate
SMILESCCC=C(C)CCC(C(=O)OC)C(=O)OO[Si](C)(C)CCCC
InChIInChI=1S/C17H32O5Si/c1-7-9-13-23(5,6)22-21-17(19)15(16(18)20-4)12-11-14(3)10-8-2/h10,15H,7-9,11-13H2,1-6H3
InChIKeyGIAVWLGYXYKTHT-UHFFFAOYSA-N
MW344.52 g/mol
LogP4.39
Rot. Bonds11

About methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate

methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate (PubChem CID 88652840) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate.

Molecular Properties

Compound Namemethyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate
PubChem CID88652840
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namemethyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate
SMILESCCC=C(C)CCC(C(=O)OC)C(=O)OO[Si](C)(C)CCCC
InChIInChI=1S/C17H32O5Si/c1-7-9-13-23(5,6)22-21-17(19)15(16(18)20-4)12-11-14(3)10-8-2/h10,15H,7-9,11-13H2,1-6H3
InChIKeyGIAVWLGYXYKTHT-UHFFFAOYSA-N
XLogP4.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate?
The IUPAC name of methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate (CID 88652840) is methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate.
What is the SMILES notation for methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate?
The canonical SMILES for methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate is CCC=C(C)CCC(C(=O)OC)C(=O)OO[Si](C)(C)CCCC.
What is the InChIKey of methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate?
The InChIKey is GIAVWLGYXYKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-7-9-13-23(5,6)22-21-17(19)15(16(18)20-4)12-11-14(3)10-8-2/h10,15H,7-9,11-13H2,1-6H3.
What are the key properties of methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate?
methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate has a molecular weight of 344.52 g/mol, XLogP of 4.39, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate is sourced from PubChem (CID 88652840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).