2,4-dimethyl-3-(3-methylbutylsulfanyl)furan

C11H18OS — CID 146279360

IUPAC2,4-dimethyl-3-(3-methylbutylsulfanyl)furan
SMILESCc1coc(C)c1SCCC(C)C
InChIInChI=1S/C11H18OS/c1-8(2)5-6-13-11-9(3)7-12-10(11)4/h7-8H,5-6H2,1-4H3
InChIKeyVPZMXVQPRVSQIJ-UHFFFAOYSA-N
MW198.33 g/mol
LogP4.03
Rot. Bonds4

About 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan

2,4-dimethyl-3-(3-methylbutylsulfanyl)furan (PubChem CID 146279360) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan.

Molecular Properties

Compound Name2,4-dimethyl-3-(3-methylbutylsulfanyl)furan
PubChem CID146279360
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2,4-dimethyl-3-(3-methylbutylsulfanyl)furan
SMILESCc1coc(C)c1SCCC(C)C
InChIInChI=1S/C11H18OS/c1-8(2)5-6-13-11-9(3)7-12-10(11)4/h7-8H,5-6H2,1-4H3
InChIKeyVPZMXVQPRVSQIJ-UHFFFAOYSA-N
XLogP4.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan?
The IUPAC name of 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan (CID 146279360) is 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan.
What is the SMILES notation for 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan?
The canonical SMILES for 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan is Cc1coc(C)c1SCCC(C)C.
What is the InChIKey of 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan?
The InChIKey is VPZMXVQPRVSQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-8(2)5-6-13-11-9(3)7-12-10(11)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan?
2,4-dimethyl-3-(3-methylbutylsulfanyl)furan has a molecular weight of 198.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(3-methylbutylsulfanyl)furan is sourced from PubChem (CID 146279360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).