propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate

C12H24O4Si — CID 174729639

IUPACpropan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate
SMILESCCC([SiH3])C(=COC(C)C)C(=O)OOC(C)C
InChIInChI=1S/C12H24O4Si/c1-6-11(17)10(7-14-8(2)3)12(13)16-15-9(4)5/h7-9,11H,6H2,1-5,17H3
InChIKeyMYDDECYUCFGLSJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.74
Rot. Bonds7

About propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate

propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate (PubChem CID 174729639) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate.

Molecular Properties

Compound Namepropan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate
PubChem CID174729639
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namepropan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate
SMILESCCC([SiH3])C(=COC(C)C)C(=O)OOC(C)C
InChIInChI=1S/C12H24O4Si/c1-6-11(17)10(7-14-8(2)3)12(13)16-15-9(4)5/h7-9,11H,6H2,1-5,17H3
InChIKeyMYDDECYUCFGLSJ-UHFFFAOYSA-N
XLogP1.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-propan-2-ylperoxyacetic acid
CID 151938347
propan-2-yl 2-(1-propan-2-yloxyethylidene)pentaneperoxoate
CID 174407198
(Z)-1-propan-2-yloxy-2-[(Z)-1-propan-2-yloxyprop-1-en-2-yl]oxyprop-1-ene
CID 88809634
bis(propan-2-yl 3-oxobutaneperoxoate);titanium
CID 87089765
methyl 2-silylbutanoate
CID 174805276
pentyl propan-2-yloxy carbonate
CID 142700968
1-silylpropyl 3-methoxy-2-methylprop-2-enoate
CID 175355703
propane;propan-2-yl acetate
CID 23325886
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
propan-2-yl (2R)-2-ethylbut-3-enoate
CID 101242272
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate?
The IUPAC name of propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate (CID 174729639) is propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate.
What is the SMILES notation for propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate?
The canonical SMILES for propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate is CCC([SiH3])C(=COC(C)C)C(=O)OOC(C)C.
What is the InChIKey of propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate?
The InChIKey is MYDDECYUCFGLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-11(17)10(7-14-8(2)3)12(13)16-15-9(4)5/h7-9,11H,6H2,1-5,17H3.
What are the key properties of propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate?
propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate has a molecular weight of 260.41 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(propan-2-yloxymethylidene)-3-silylpentaneperoxoate is sourced from PubChem (CID 174729639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).