5-[ethoxy(dimethyl)silyl]pentyl thiocyanate

C10H21NOSSi — CID 151183843

IUPAC5-[ethoxy(dimethyl)silyl]pentyl thiocyanate
SMILESCCO[Si](C)(C)CCCCCSC#N
InChIInChI=1S/C10H21NOSSi/c1-4-12-14(2,3)9-7-5-6-8-13-10-11/h4-9H2,1-3H3
InChIKeyNEWDJEOWVDSDRI-UHFFFAOYSA-N
MW231.44 g/mol
LogP3.61
Rot. Bonds8

About 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate

5-[ethoxy(dimethyl)silyl]pentyl thiocyanate (PubChem CID 151183843) has the molecular formula C10H21NOSSi and a molecular weight of 231.44 g/mol. Its IUPAC name is 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate.

Molecular Properties

Compound Name5-[ethoxy(dimethyl)silyl]pentyl thiocyanate
PubChem CID151183843
Molecular FormulaC10H21NOSSi
Molecular Weight231.44 g/mol
Exact Mass231.11
IUPAC Name5-[ethoxy(dimethyl)silyl]pentyl thiocyanate
SMILESCCO[Si](C)(C)CCCCCSC#N
InChIInChI=1S/C10H21NOSSi/c1-4-12-14(2,3)9-7-5-6-8-13-10-11/h4-9H2,1-3H3
InChIKeyNEWDJEOWVDSDRI-UHFFFAOYSA-N
XLogP3.61
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[diethoxy(methyl)silyl]butyl thiocyanate
CID 151709752
9-[methoxy(dimethyl)silyl]nonyl thiocyanate
CID 150333024
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
5-chloropentyl-ethoxy-dimethylsilane
CID 140723464
bis[2-[ethoxy(dimethyl)silyl]ethyl]-dimethylsilane
CID 19387655
ethoxy-dimethyl-(7-methyloctyl)silane
CID 139725717
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
CID 22558571
CID 22558571
[methyl-[(Z)-octadec-9-enoyl]oxy-(10-thiocyanatodecyl)silyl] (Z)-octadec-9-enoate
CID 150615480
3-[ethoxy(dimethyl)silyl]propane-1-thiol;silane
CID 159201084
ethoxy-hex-5-enyl-dimethylsilane
CID 87088698

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate?
The IUPAC name of 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate (CID 151183843) is 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate.
What is the SMILES notation for 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate?
The canonical SMILES for 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate is CCO[Si](C)(C)CCCCCSC#N.
What is the InChIKey of 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate?
The InChIKey is NEWDJEOWVDSDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOSSi/c1-4-12-14(2,3)9-7-5-6-8-13-10-11/h4-9H2,1-3H3.
What are the key properties of 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate?
5-[ethoxy(dimethyl)silyl]pentyl thiocyanate has a molecular weight of 231.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(dimethyl)silyl]pentyl thiocyanate is sourced from PubChem (CID 151183843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).