(2S)-2-ethyl-3-methyl-2,3-dihydrofuran

C7H12O — CID 91043143

IUPAC(2S)-2-ethyl-3-methyl-2,3-dihydrofuran
SMILESCC[C@@H]1OC=CC1C
InChIInChI=1S/C7H12O/c1-3-7-6(2)4-5-8-7/h4-7H,3H2,1-2H3/t6?,7-/m0/s1
InChIKeyFGNIFVSZBCQIFY-MLWJPKLSSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds1

About (2S)-2-ethyl-3-methyl-2,3-dihydrofuran

(2S)-2-ethyl-3-methyl-2,3-dihydrofuran (PubChem CID 91043143) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2S)-2-ethyl-3-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name(2S)-2-ethyl-3-methyl-2,3-dihydrofuran
PubChem CID91043143
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2S)-2-ethyl-3-methyl-2,3-dihydrofuran
SMILESCC[C@@H]1OC=CC1C
InChIInChI=1S/C7H12O/c1-3-7-6(2)4-5-8-7/h4-7H,3H2,1-2H3/t6?,7-/m0/s1
InChIKeyFGNIFVSZBCQIFY-MLWJPKLSSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-3-methyl-2,3-dihydrofuran?
The IUPAC name of (2S)-2-ethyl-3-methyl-2,3-dihydrofuran (CID 91043143) is (2S)-2-ethyl-3-methyl-2,3-dihydrofuran.
What is the SMILES notation for (2S)-2-ethyl-3-methyl-2,3-dihydrofuran?
The canonical SMILES for (2S)-2-ethyl-3-methyl-2,3-dihydrofuran is CC[C@@H]1OC=CC1C.
What is the InChIKey of (2S)-2-ethyl-3-methyl-2,3-dihydrofuran?
The InChIKey is FGNIFVSZBCQIFY-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7-6(2)4-5-8-7/h4-7H,3H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (2S)-2-ethyl-3-methyl-2,3-dihydrofuran?
(2S)-2-ethyl-3-methyl-2,3-dihydrofuran has a molecular weight of 112.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-3-methyl-2,3-dihydrofuran is sourced from PubChem (CID 91043143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).