[dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate

C12H24O5Si2 — CID 87206672

IUPAC[dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate
SMILESC=CCC(=C)C(=O)OO[Si](C[Si](C)(C)C)(OC)OC
InChIInChI=1S/C12H24O5Si2/c1-8-9-11(2)12(13)16-17-19(14-3,15-4)10-18(5,6)7/h8H,1-2,9-10H2,3-7H3
InChIKeyRXYDPGAMICQUFK-UHFFFAOYSA-N
MW304.49 g/mol
LogP2.70
Rot. Bonds9

About [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate

[dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate (PubChem CID 87206672) has the molecular formula C12H24O5Si2 and a molecular weight of 304.49 g/mol. Its IUPAC name is [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate.

Molecular Properties

Compound Name[dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate
PubChem CID87206672
Molecular FormulaC12H24O5Si2
Molecular Weight304.49 g/mol
Exact Mass304.12
IUPAC Name[dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate
SMILESC=CCC(=C)C(=O)OO[Si](C[Si](C)(C)C)(OC)OC
InChIInChI=1S/C12H24O5Si2/c1-8-9-11(2)12(13)16-17-19(14-3,15-4)10-18(5,6)7/h8H,1-2,9-10H2,3-7H3
InChIKeyRXYDPGAMICQUFK-UHFFFAOYSA-N
XLogP2.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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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Frequently Asked Questions

What is the IUPAC name of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate?
The IUPAC name of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate (CID 87206672) is [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate.
What is the SMILES notation for [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate?
The canonical SMILES for [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate is C=CCC(=C)C(=O)OO[Si](C[Si](C)(C)C)(OC)OC.
What is the InChIKey of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate?
The InChIKey is RXYDPGAMICQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si2/c1-8-9-11(2)12(13)16-17-19(14-3,15-4)10-18(5,6)7/h8H,1-2,9-10H2,3-7H3.
What are the key properties of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate?
[dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate has a molecular weight of 304.49 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(trimethylsilylmethyl)silyl] 2-methylidenepent-4-eneperoxoate is sourced from PubChem (CID 87206672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).