6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one

C10H14O3Si — CID 139725151

IUPAC6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one
SMILESCCOC[Si](=O)CC1C=CC=CC1=O
InChIInChI=1S/C10H14O3Si/c1-2-13-8-14(12)7-9-5-3-4-6-10(9)11/h3-6,9H,2,7-8H2,1H3
InChIKeyFSKQJBGSDZNRQD-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.30
Rot. Bonds5

About 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one

6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one (PubChem CID 139725151) has the molecular formula C10H14O3Si and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one
PubChem CID139725151
Molecular FormulaC10H14O3Si
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one
SMILESCCOC[Si](=O)CC1C=CC=CC1=O
InChIInChI=1S/C10H14O3Si/c1-2-13-8-14(12)7-9-5-3-4-6-10(9)11/h3-6,9H,2,7-8H2,1H3
InChIKeyFSKQJBGSDZNRQD-UHFFFAOYSA-N
XLogP1.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.30
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 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one (CID 139725151) is 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one is CCOC[Si](=O)CC1C=CC=CC1=O.
What is the InChIKey of 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one?
The InChIKey is FSKQJBGSDZNRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3Si/c1-2-13-8-14(12)7-9-5-3-4-6-10(9)11/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one?
6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one has a molecular weight of 210.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethoxymethyl(oxo)silyl]methyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 139725151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).