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

C24H33OS+ — CID 20531619

IUPACdibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
SMILESc1ccc(C[S+](CCCCCCC2CCCO2)Cc2ccccc2)cc1
InChIInChI=1S/C24H33OS/c1(9-16-24-17-11-18-25-24)2-10-19-26(20-22-12-5-3-6-13-22)21-23-14-7-4-8-15-23/h3-8,12-15,24H,1-2,9-11,16-21H2/q+1
InChIKeyCMBSRRTZUWSEPP-UHFFFAOYSA-N
MW369.59 g/mol
LogP6.13
Rot. Bonds11

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

dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium (PubChem CID 20531619) has the molecular formula C24H33OS+ and a molecular weight of 369.59 g/mol. Its IUPAC name is dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium.

Molecular Properties

Compound Namedibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
PubChem CID20531619
Molecular FormulaC24H33OS+
Molecular Weight369.59 g/mol
Exact Mass369.22
IUPAC Namedibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
SMILESc1ccc(C[S+](CCCCCCC2CCCO2)Cc2ccccc2)cc1
InChIInChI=1S/C24H33OS/c1(9-16-24-17-11-18-25-24)2-10-19-26(20-22-12-5-3-6-13-22)21-23-14-7-4-8-15-23/h3-8,12-15,24H,1-2,9-11,16-21H2/q+1
InChIKeyCMBSRRTZUWSEPP-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.13
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

diethyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 23326620
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane
CID 70456287
ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
CID 23326622
3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
CID 79452012
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium bromide
CID 88679185
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
3-phenylpropyl 3-(oxolan-2-yl)propanoate
CID 78859306
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium?
The IUPAC name of dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium (CID 20531619) is dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium.
What is the SMILES notation for dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium?
The canonical SMILES for dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium is c1ccc(C[S+](CCCCCCC2CCCO2)Cc2ccccc2)cc1.
What is the InChIKey of dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium?
The InChIKey is CMBSRRTZUWSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33OS/c1(9-16-24-17-11-18-25-24)2-10-19-26(20-22-12-5-3-6-13-22)21-23-14-7-4-8-15-23/h3-8,12-15,24H,1-2,9-11,16-21H2/q+1.
What are the key properties of dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium?
dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium has a molecular weight of 369.59 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium is sourced from PubChem (CID 20531619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).