3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one

C15H28O3Si2 — CID 101256743

IUPAC3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one
SMILESCOCC1=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C1COC
InChIInChI=1S/C15H28O3Si2/c1-17-9-11-12(10-18-2)15(20(6,7)8)13(16)14(11)19(3,4)5/h9-10H2,1-8H3
InChIKeyQMCQLPPFFOOOTC-UHFFFAOYSA-N
MW312.56 g/mol
LogP3.21
Rot. Bonds6

About 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one

3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one (PubChem CID 101256743) has the molecular formula C15H28O3Si2 and a molecular weight of 312.56 g/mol. Its IUPAC name is 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one
PubChem CID101256743
Molecular FormulaC15H28O3Si2
Molecular Weight312.56 g/mol
Exact Mass312.16
IUPAC Name3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one
SMILESCOCC1=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C1COC
InChIInChI=1S/C15H28O3Si2/c1-17-9-11-12(10-18-2)15(20(6,7)8)13(16)14(11)19(3,4)5/h9-10H2,1-8H3
InChIKeyQMCQLPPFFOOOTC-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one?
The IUPAC name of 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one (CID 101256743) is 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one?
The canonical SMILES for 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one is COCC1=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C1COC.
What is the InChIKey of 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one?
The InChIKey is QMCQLPPFFOOOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si2/c1-17-9-11-12(10-18-2)15(20(6,7)8)13(16)14(11)19(3,4)5/h9-10H2,1-8H3.
What are the key properties of 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one?
3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one has a molecular weight of 312.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(methoxymethyl)-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 101256743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).