diethyl-[6-(oxolan-2-yl)hexyl]sulfanium

C14H29OS+ — CID 23326620

IUPACdiethyl-[6-(oxolan-2-yl)hexyl]sulfanium
SMILESCC[S+](CC)CCCCCCC1CCCO1
InChIInChI=1S/C14H29OS/c1-3-16(4-2)13-8-6-5-7-10-14-11-9-12-15-14/h14H,3-13H2,1-2H3/q+1
InChIKeyDTSBOWDGTWATBJ-UHFFFAOYSA-N
MW245.45 g/mol
LogP3.77
Rot. Bonds9

About diethyl-[6-(oxolan-2-yl)hexyl]sulfanium

diethyl-[6-(oxolan-2-yl)hexyl]sulfanium (PubChem CID 23326620) has the molecular formula C14H29OS+ and a molecular weight of 245.45 g/mol. Its IUPAC name is diethyl-[6-(oxolan-2-yl)hexyl]sulfanium.

Molecular Properties

Compound Namediethyl-[6-(oxolan-2-yl)hexyl]sulfanium
PubChem CID23326620
Molecular FormulaC14H29OS+
Molecular Weight245.45 g/mol
Exact Mass245.19
IUPAC Namediethyl-[6-(oxolan-2-yl)hexyl]sulfanium
SMILESCC[S+](CC)CCCCCCC1CCCO1
InChIInChI=1S/C14H29OS/c1-3-16(4-2)13-8-6-5-7-10-14-11-9-12-15-14/h14H,3-13H2,1-2H3/q+1
InChIKeyDTSBOWDGTWATBJ-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
CID 23326622
ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium bromide
CID 88679185
2-tetradecyloxolane
CID 10683364
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064
dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 20531619
octyl-[2-(oxan-2-yl)ethyl]-propylsulfanium
CID 173412419
2-hexyloxolane;oxolane
CID 173130151
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
2-butyloxolane;pentylcyclopentane
CID 143579314
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470

Frequently Asked Questions

What is the IUPAC name of diethyl-[6-(oxolan-2-yl)hexyl]sulfanium?
The IUPAC name of diethyl-[6-(oxolan-2-yl)hexyl]sulfanium (CID 23326620) is diethyl-[6-(oxolan-2-yl)hexyl]sulfanium.
What is the SMILES notation for diethyl-[6-(oxolan-2-yl)hexyl]sulfanium?
The canonical SMILES for diethyl-[6-(oxolan-2-yl)hexyl]sulfanium is CC[S+](CC)CCCCCCC1CCCO1.
What is the InChIKey of diethyl-[6-(oxolan-2-yl)hexyl]sulfanium?
The InChIKey is DTSBOWDGTWATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29OS/c1-3-16(4-2)13-8-6-5-7-10-14-11-9-12-15-14/h14H,3-13H2,1-2H3/q+1.
What are the key properties of diethyl-[6-(oxolan-2-yl)hexyl]sulfanium?
diethyl-[6-(oxolan-2-yl)hexyl]sulfanium has a molecular weight of 245.45 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[6-(oxolan-2-yl)hexyl]sulfanium is sourced from PubChem (CID 23326620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).