(3S)-2,3-diethyl-3-methyl-2H-furan

C9H16O — CID 58226981

IUPAC(3S)-2,3-diethyl-3-methyl-2H-furan
SMILESCCC1OC=C[C@]1(C)CC
InChIInChI=1S/C9H16O/c1-4-8-9(3,5-2)6-7-10-8/h6-8H,4-5H2,1-3H3/t8?,9-/m0/s1
InChIKeyXLFSQGFLCRYKQY-GKAPJAKFSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About (3S)-2,3-diethyl-3-methyl-2H-furan

(3S)-2,3-diethyl-3-methyl-2H-furan (PubChem CID 58226981) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S)-2,3-diethyl-3-methyl-2H-furan.

Molecular Properties

Compound Name(3S)-2,3-diethyl-3-methyl-2H-furan
PubChem CID58226981
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3S)-2,3-diethyl-3-methyl-2H-furan
SMILESCCC1OC=C[C@]1(C)CC
InChIInChI=1S/C9H16O/c1-4-8-9(3,5-2)6-7-10-8/h6-8H,4-5H2,1-3H3/t8?,9-/m0/s1
InChIKeyXLFSQGFLCRYKQY-GKAPJAKFSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-diethyl-3-methyl-2H-furan?
The IUPAC name of (3S)-2,3-diethyl-3-methyl-2H-furan (CID 58226981) is (3S)-2,3-diethyl-3-methyl-2H-furan.
What is the SMILES notation for (3S)-2,3-diethyl-3-methyl-2H-furan?
The canonical SMILES for (3S)-2,3-diethyl-3-methyl-2H-furan is CCC1OC=C[C@]1(C)CC.
What is the InChIKey of (3S)-2,3-diethyl-3-methyl-2H-furan?
The InChIKey is XLFSQGFLCRYKQY-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8-9(3,5-2)6-7-10-8/h6-8H,4-5H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (3S)-2,3-diethyl-3-methyl-2H-furan?
(3S)-2,3-diethyl-3-methyl-2H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-diethyl-3-methyl-2H-furan is sourced from PubChem (CID 58226981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).