trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride

C17H25ClOSSi — CID 19777591

IUPACtrimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride
SMILESC[Si](C)(C)OC1(C2CC[SH+]C2)CC=Cc2ccccc21.[Cl-]
InChIInChI=1S/C17H24OSSi.ClH/c1-20(2,3)18-17(15-10-12-19-13-15)11-6-8-14-7-4-5-9-16(14)17;/h4-9,15H,10-13H2,1-3H3;1H
InChIKeyUGLBFBUUZXAEFR-UHFFFAOYSA-N
MW340.99 g/mol
LogP0.99
Rot. Bonds3

About trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride

trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride (PubChem CID 19777591) has the molecular formula C17H25ClOSSi and a molecular weight of 340.99 g/mol. Its IUPAC name is trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride.

Molecular Properties

Compound Nametrimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride
PubChem CID19777591
Molecular FormulaC17H25ClOSSi
Molecular Weight340.99 g/mol
Exact Mass340.11
IUPAC Nametrimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride
SMILESC[Si](C)(C)OC1(C2CC[SH+]C2)CC=Cc2ccccc21.[Cl-]
InChIInChI=1S/C17H24OSSi.ClH/c1-20(2,3)18-17(15-10-12-19-13-15)11-6-8-14-7-4-5-9-16(14)17;/h4-9,15H,10-13H2,1-3H3;1H
InChIKeyUGLBFBUUZXAEFR-UHFFFAOYSA-N
XLogP0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride 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

(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
1,1'-spirobi[2H-naphthalene]
CID 158698330
1-methyl-1-trimethylsilyloxynaphthalen-2-one
CID 10800462
1-(chloromethyl)-1-methoxy-2H-naphthalene
CID 155163212
1-methoxy-2H-naphthalen-1-amine
CID 141164754
(1-methyl-2H-naphthalen-1-yl)methanamine
CID 71302086
ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
CID 91247385
1-[(1-hydroxy-2H-naphthalen-1-yl)sulfanyl]-2H-naphthalen-1-ol
CID 70302802
4-[(1-iodo-2H-naphthalen-1-yl)oxy]pentan-2-ol
CID 139990364
(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane
CID 101256549
N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide
CID 19868678
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride?
The IUPAC name of trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride (CID 19777591) is trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride.
What is the SMILES notation for trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride?
The canonical SMILES for trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride is C[Si](C)(C)OC1(C2CC[SH+]C2)CC=Cc2ccccc21.[Cl-].
What is the InChIKey of trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride?
The InChIKey is UGLBFBUUZXAEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OSSi.ClH/c1-20(2,3)18-17(15-10-12-19-13-15)11-6-8-14-7-4-5-9-16(14)17;/h4-9,15H,10-13H2,1-3H3;1H.
What are the key properties of trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride?
trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride has a molecular weight of 340.99 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[1-(thiolan-1-ium-3-yl)-2H-naphthalen-1-yl]oxy]silane chloride is sourced from PubChem (CID 19777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).