5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran

C14H22O2S2 — CID 22472245

IUPAC5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran
SMILESCCC1=CC(SSC2C=C(CC)OC2C)C(C)O1
InChIInChI=1S/C14H22O2S2/c1-5-11-7-13(9(3)15-11)17-18-14-8-12(6-2)16-10(14)4/h7-10,13-14H,5-6H2,1-4H3
InChIKeyPNDMUDJHNVZHCL-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.53
Rot. Bonds5

About 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran

5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran (PubChem CID 22472245) has the molecular formula C14H22O2S2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran
PubChem CID22472245
Molecular FormulaC14H22O2S2
Molecular Weight286.46 g/mol
Exact Mass286.11
IUPAC Name5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran
SMILESCCC1=CC(SSC2C=C(CC)OC2C)C(C)O1
InChIInChI=1S/C14H22O2S2/c1-5-11-7-13(9(3)15-11)17-18-14-8-12(6-2)16-10(14)4/h7-10,13-14H,5-6H2,1-4H3
InChIKeyPNDMUDJHNVZHCL-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran with MolForge

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Related Compounds

bis-(2-Methyldihydrofuryl-3-) disulfide
CID 524178
2,5-Diethyl-2,3-dihydrofuran-3-thiol
CID 20567279
2,5-Dimethyl-2,3-dihydrofuran-3-thiol
CID 22472236
3-[(2,5-Diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran
CID 22472268
2,2,5-trimethyl-3-[(2,2,5-trimethyl-3H-furan-3-yl)disulfanyl]-3H-furan
CID 141530436

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran?
The IUPAC name of 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran (CID 22472245) is 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran.
What is the SMILES notation for 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran?
The canonical SMILES for 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran is CCC1=CC(SSC2C=C(CC)OC2C)C(C)O1.
What is the InChIKey of 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran?
The InChIKey is PNDMUDJHNVZHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S2/c1-5-11-7-13(9(3)15-11)17-18-14-8-12(6-2)16-10(14)4/h7-10,13-14H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran?
5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran has a molecular weight of 286.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran is sourced from PubChem (CID 22472245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).