cyclopentyloxy(dimethyl)sulfanium

C7H15OS+ — CID 87072730

IUPACcyclopentyloxy(dimethyl)sulfanium
SMILESC[S+](C)OC1CCCC1
InChIInChI=1S/C7H15OS/c1-9(2)8-7-5-3-4-6-7/h7H,3-6H2,1-2H3/q+1
InChIKeyLIEQWZFBKLSPRX-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.74
Rot. Bonds2

About cyclopentyloxy(dimethyl)sulfanium

cyclopentyloxy(dimethyl)sulfanium (PubChem CID 87072730) has the molecular formula C7H15OS+ and a molecular weight of 147.26 g/mol. Its IUPAC name is cyclopentyloxy(dimethyl)sulfanium.

Molecular Properties

Compound Namecyclopentyloxy(dimethyl)sulfanium
PubChem CID87072730
Molecular FormulaC7H15OS+
Molecular Weight147.26 g/mol
Exact Mass147.08
IUPAC Namecyclopentyloxy(dimethyl)sulfanium
SMILESC[S+](C)OC1CCCC1
InChIInChI=1S/C7H15OS/c1-9(2)8-7-5-3-4-6-7/h7H,3-6H2,1-2H3/q+1
InChIKeyLIEQWZFBKLSPRX-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyloxy(dimethyl)sulfanium?
The IUPAC name of cyclopentyloxy(dimethyl)sulfanium (CID 87072730) is cyclopentyloxy(dimethyl)sulfanium.
What is the SMILES notation for cyclopentyloxy(dimethyl)sulfanium?
The canonical SMILES for cyclopentyloxy(dimethyl)sulfanium is C[S+](C)OC1CCCC1.
What is the InChIKey of cyclopentyloxy(dimethyl)sulfanium?
The InChIKey is LIEQWZFBKLSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OS/c1-9(2)8-7-5-3-4-6-7/h7H,3-6H2,1-2H3/q+1.
What are the key properties of cyclopentyloxy(dimethyl)sulfanium?
cyclopentyloxy(dimethyl)sulfanium has a molecular weight of 147.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyloxy(dimethyl)sulfanium is sourced from PubChem (CID 87072730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).