2-[(hexan-2-yldisulfanyl)methyl]oxolane

C11H22OS2 — CID 167097329

IUPAC2-[(hexan-2-yldisulfanyl)methyl]oxolane
SMILESCCCCC(C)SSCC1CCCO1
InChIInChI=1S/C11H22OS2/c1-3-4-6-10(2)14-13-9-11-7-5-8-12-11/h10-11H,3-9H2,1-2H3
InChIKeyQLNKLLTWCSCDQR-UHFFFAOYSA-N
MW234.43 g/mol
LogP4.13
Rot. Bonds7

About 2-[(hexan-2-yldisulfanyl)methyl]oxolane

2-[(hexan-2-yldisulfanyl)methyl]oxolane (PubChem CID 167097329) has the molecular formula C11H22OS2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-[(hexan-2-yldisulfanyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(hexan-2-yldisulfanyl)methyl]oxolane
PubChem CID167097329
Molecular FormulaC11H22OS2
Molecular Weight234.43 g/mol
Exact Mass234.11
IUPAC Name2-[(hexan-2-yldisulfanyl)methyl]oxolane
SMILESCCCCC(C)SSCC1CCCO1
InChIInChI=1S/C11H22OS2/c1-3-4-6-10(2)14-13-9-11-7-5-8-12-11/h10-11H,3-9H2,1-2H3
InChIKeyQLNKLLTWCSCDQR-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
CID 66242081
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
3-(oxolan-2-ylmethylsulfanyl)heptan-4-amine
CID 106496756
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
CID 106495862
oxolan-2-ylmethyl pentanedithioate
CID 57053848
2-tetradecyloxolane
CID 10683364
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
1-(oxolan-2-yl)heptan-2-ol
CID 62606693
2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624

Frequently Asked Questions

What is the IUPAC name of 2-[(hexan-2-yldisulfanyl)methyl]oxolane?
The IUPAC name of 2-[(hexan-2-yldisulfanyl)methyl]oxolane (CID 167097329) is 2-[(hexan-2-yldisulfanyl)methyl]oxolane.
What is the SMILES notation for 2-[(hexan-2-yldisulfanyl)methyl]oxolane?
The canonical SMILES for 2-[(hexan-2-yldisulfanyl)methyl]oxolane is CCCCC(C)SSCC1CCCO1.
What is the InChIKey of 2-[(hexan-2-yldisulfanyl)methyl]oxolane?
The InChIKey is QLNKLLTWCSCDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2/c1-3-4-6-10(2)14-13-9-11-7-5-8-12-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[(hexan-2-yldisulfanyl)methyl]oxolane?
2-[(hexan-2-yldisulfanyl)methyl]oxolane has a molecular weight of 234.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hexan-2-yldisulfanyl)methyl]oxolane is sourced from PubChem (CID 167097329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).