tricyclopentylsulfanium acetate

C17H30O2S — CID 162329415

IUPACtricyclopentylsulfanium acetate
SMILESC1CCC([S+](C2CCCC2)C2CCCC2)C1.CC(=O)[O-]
InChIInChI=1S/C15H27S.C2H4O2/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-2(3)4/h13-15H,1-12H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyGFVQKTLNGAYEPS-UHFFFAOYSA-M
MW298.49 g/mol
LogP3.19
Rot. Bonds3

About tricyclopentylsulfanium acetate

tricyclopentylsulfanium acetate (PubChem CID 162329415) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is tricyclopentylsulfanium acetate.

Molecular Properties

Compound Nametricyclopentylsulfanium acetate
PubChem CID162329415
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Nametricyclopentylsulfanium acetate
SMILESC1CCC([S+](C2CCCC2)C2CCCC2)C1.CC(=O)[O-]
InChIInChI=1S/C15H27S.C2H4O2/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-2(3)4/h13-15H,1-12H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyGFVQKTLNGAYEPS-UHFFFAOYSA-M
XLogP3.19
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tricyclohexylstannanylium acetate
CID 19896335
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532
4-fluorobenzoate;tricyclopentylsulfanium
CID 159401377
cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide
CID 173457122
magnesium;bromocyclopropane;diacetate
CID 175020388
1-cyclohexylethanethiol acetate
CID 22215872
oxolane;palladium(2+);diacetate
CID 173243487
bis(cobalt(2+));tetraacetate
CID 157121376
nonasodium;nonaacetate
CID 173443222
tris(barium(2+)) diacetate
CID 19804496
tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057

Frequently Asked Questions

What is the IUPAC name of tricyclopentylsulfanium acetate?
The IUPAC name of tricyclopentylsulfanium acetate (CID 162329415) is tricyclopentylsulfanium acetate.
What is the SMILES notation for tricyclopentylsulfanium acetate?
The canonical SMILES for tricyclopentylsulfanium acetate is C1CCC([S+](C2CCCC2)C2CCCC2)C1.CC(=O)[O-].
What is the InChIKey of tricyclopentylsulfanium acetate?
The InChIKey is GFVQKTLNGAYEPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H27S.C2H4O2/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-2(3)4/h13-15H,1-12H2;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of tricyclopentylsulfanium acetate?
tricyclopentylsulfanium acetate has a molecular weight of 298.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentylsulfanium acetate is sourced from PubChem (CID 162329415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).