3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one

C10H14O4S2 — CID 10849081

IUPAC3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one
SMILESO=C1OCCC1CSSCC1CCOC1=O
InChIInChI=1S/C10H14O4S2/c11-9-7(1-3-13-9)5-15-16-6-8-2-4-14-10(8)12/h7-8H,1-6H2
InChIKeyVRAQSYSIPBDCKV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.49
Rot. Bonds5

About 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one

3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one (PubChem CID 10849081) has the molecular formula C10H14O4S2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one.

Molecular Properties

Compound Name3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one
PubChem CID10849081
Molecular FormulaC10H14O4S2
Molecular Weight262.35 g/mol
Exact Mass262.03
IUPAC Name3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one
SMILESO=C1OCCC1CSSCC1CCOC1=O
InChIInChI=1S/C10H14O4S2/c11-9-7(1-3-13-9)5-15-16-6-8-2-4-14-10(8)12/h7-8H,1-6H2
InChIKeyVRAQSYSIPBDCKV-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(iodomethyl)oxolan-2-one
CID 15214158
(3R)-3-(3-fluoropropyl)oxolan-2-one
CID 21309758
3-(2-ethylbutyl)oxolan-2-one
CID 14047238
(3S)-3-aminooxolan-2-one;hydrochloride
CID 2733667
(3S)-3-aminooxolan-2-one;ethane
CID 90724165
(2-oxooxolan-3-yl)methyl acetate
CID 12039852
3-(2-ethoxyethyl)oxolan-2-one
CID 165357092
3-(3-hydroxy-2-iodopropyl)oxolan-2-one
CID 11097593
3-pent-4-enyloxolan-2-one
CID 139448427
3-ethyloxepan-2-one
CID 22116783
(3R)-3-ethylsulfanyloxolan-2-one
CID 124536280
3-[(2S)-2-methyl-3-oxobutyl]oxolan-2-one
CID 46201937

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one?
The IUPAC name of 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one (CID 10849081) is 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one.
What is the SMILES notation for 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one?
The canonical SMILES for 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one is O=C1OCCC1CSSCC1CCOC1=O.
What is the InChIKey of 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one?
The InChIKey is VRAQSYSIPBDCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S2/c11-9-7(1-3-13-9)5-15-16-6-8-2-4-14-10(8)12/h7-8H,1-6H2.
What are the key properties of 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one?
3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one is sourced from PubChem (CID 10849081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).