3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran

C16H26O2S — CID 22472268

IUPAC3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran
SMILESCCC1=CC(SC2C=C(CC)OC2CC)C(CC)O1
InChIInChI=1S/C16H26O2S/c1-5-11-9-15(13(7-3)17-11)19-16-10-12(6-2)18-14(16)8-4/h9-10,13-16H,5-8H2,1-4H3
InChIKeyCMBBZSSHUYSMTF-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.66
Rot. Bonds6

About 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran

3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran (PubChem CID 22472268) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran.

Molecular Properties

Compound Name3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran
PubChem CID22472268
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Name3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran
SMILESCCC1=CC(SC2C=C(CC)OC2CC)C(CC)O1
InChIInChI=1S/C16H26O2S/c1-5-11-9-15(13(7-3)17-11)19-16-10-12(6-2)18-14(16)8-4/h9-10,13-16H,5-8H2,1-4H3
InChIKeyCMBBZSSHUYSMTF-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran with MolForge

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Related Compounds

3-[(2,3-Dihydro-5-methyl-3-furyl)thio]tetrahydro-2-methylfuran-3-thiol
CID 3015971
5-Ethyl-3-[(5-ethyl-2-methyl-2,3-dihydrofuran-3-yl)disulfanyl]-2-methyl-2,3-dihydrofuran
CID 22472245
2-Methyl-2,3-dihydrofuran;5-methyl-2,3-dihydrothiophene
CID 143663974
5-Methyl-2,3-dihydrofuran;5-methyl-2,3-dihydrothiophene
CID 143831998
5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)
CID 161268168
(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan
CID 173382775

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran?
The IUPAC name of 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran (CID 22472268) is 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran.
What is the SMILES notation for 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran?
The canonical SMILES for 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran is CCC1=CC(SC2C=C(CC)OC2CC)C(CC)O1.
What is the InChIKey of 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran?
The InChIKey is CMBBZSSHUYSMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2S/c1-5-11-9-15(13(7-3)17-11)19-16-10-12(6-2)18-14(16)8-4/h9-10,13-16H,5-8H2,1-4H3.
What are the key properties of 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran?
3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran has a molecular weight of 282.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-diethyl-2,3-dihydrofuran-3-yl)sulfanyl]-2,5-diethyl-2,3-dihydrofuran is sourced from PubChem (CID 22472268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).