[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium

C17H27O3Si+ — CID 134950527

IUPAC[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium
SMILESC/[O+]=C(\O[Si](C)(C)C)C(C)(C)C1OCCc2ccccc21
InChIInChI=1S/C17H27O3Si/c1-17(2,16(18-3)20-21(4,5)6)15-14-10-8-7-9-13(14)11-12-19-15/h7-10,15H,11-12H2,1-6H3/q+1
InChIKeyHWPOEANKVPMWFW-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.87
Rot. Bonds3

About [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium

[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium (PubChem CID 134950527) has the molecular formula C17H27O3Si+ and a molecular weight of 307.49 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium
PubChem CID134950527
Molecular FormulaC17H27O3Si+
Molecular Weight307.49 g/mol
Exact Mass307.17
IUPAC Name[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium
SMILESC/[O+]=C(\O[Si](C)(C)C)C(C)(C)C1OCCc2ccccc21
InChIInChI=1S/C17H27O3Si/c1-17(2,16(18-3)20-21(4,5)6)15-14-10-8-7-9-13(14)11-12-19-15/h7-10,15H,11-12H2,1-6H3/q+1
InChIKeyHWPOEANKVPMWFW-UHFFFAOYSA-N
XLogP3.87
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-2-methylpropanoate
CID 132595611
dimethyl 2-(3,4-dihydro-1H-isochromen-1-yl)-2-methylpropanedioate
CID 102178177
2-(3,4-dihydro-1H-isochromen-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 23288770
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
1-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-3-(methylamino)propan-2-ol
CID 66040537
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
CID 105170411
(2S,5R,6R)-6-[[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 10364713
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxy-3-methylpentan-2-one
CID 116746974

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium?
The IUPAC name of [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium (CID 134950527) is [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium.
What is the SMILES notation for [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium?
The canonical SMILES for [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium is C/[O+]=C(\O[Si](C)(C)C)C(C)(C)C1OCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium?
The InChIKey is HWPOEANKVPMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O3Si/c1-17(2,16(18-3)20-21(4,5)6)15-14-10-8-7-9-13(14)11-12-19-15/h7-10,15H,11-12H2,1-6H3/q+1.
What are the key properties of [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium?
[2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium has a molecular weight of 307.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-1-trimethylsilyloxypropylidene]-methyloxidanium is sourced from PubChem (CID 134950527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).