methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium

C11H16O2Si — CID 100946662

IUPACmethyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium
SMILESC[O+]=C1C=CC(=[C-]O[Si](C)(C)C)C=C1
InChIInChI=1S/C11H16O2Si/c1-12-11-7-5-10(6-8-11)9-13-14(2,3)4/h5-8H,1-4H3
InChIKeyDVZBBVRQRVRVGH-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.39
Rot. Bonds2

About methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium

methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium (PubChem CID 100946662) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium.

Molecular Properties

Compound Namemethyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium
PubChem CID100946662
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namemethyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium
SMILESC[O+]=C1C=CC(=[C-]O[Si](C)(C)C)C=C1
InChIInChI=1S/C11H16O2Si/c1-12-11-7-5-10(6-8-11)9-13-14(2,3)4/h5-8H,1-4H3
InChIKeyDVZBBVRQRVRVGH-UHFFFAOYSA-N
XLogP2.39
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium?
The IUPAC name of methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium (CID 100946662) is methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium.
What is the SMILES notation for methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium?
The canonical SMILES for methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium is C[O+]=C1C=CC(=[C-]O[Si](C)(C)C)C=C1.
What is the InChIKey of methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium?
The InChIKey is DVZBBVRQRVRVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Si/c1-12-11-7-5-10(6-8-11)9-13-14(2,3)4/h5-8H,1-4H3.
What are the key properties of methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium?
methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium has a molecular weight of 208.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(trimethylsilyloxymethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium is sourced from PubChem (CID 100946662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).