(3S)-3-ethyl-5-methyl-2,3-dihydrofuran

C7H12O — CID 163483277

IUPAC(3S)-3-ethyl-5-methyl-2,3-dihydrofuran
SMILESCC[C@H]1C=C(C)OC1
InChIInChI=1S/C7H12O/c1-3-7-4-6(2)8-5-7/h4,7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyCGKCBVOCRFWKNB-ZETCQYMHSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds1

About (3S)-3-ethyl-5-methyl-2,3-dihydrofuran

(3S)-3-ethyl-5-methyl-2,3-dihydrofuran (PubChem CID 163483277) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3S)-3-ethyl-5-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name(3S)-3-ethyl-5-methyl-2,3-dihydrofuran
PubChem CID163483277
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3S)-3-ethyl-5-methyl-2,3-dihydrofuran
SMILESCC[C@H]1C=C(C)OC1
InChIInChI=1S/C7H12O/c1-3-7-4-6(2)8-5-7/h4,7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyCGKCBVOCRFWKNB-ZETCQYMHSA-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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Related Compounds

(5-ethyl-2,3-dihydrofuran-3-yl)methanol
CID 142878345
(3-ethylcyclopenten-1-yl)methanol
CID 22134204
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
3-butan-2-yl-2,3-dihydropyran-6-one
CID 123659399
3-[(2R,4S)-2,4-dimethylheptyl]-5-methyl-2,3-dihydropyran-6-one
CID 10610002
3,5-diethyl-2-methylcyclohexa-1,3-diene
CID 142581165
3-ethyl-3,6-dihydro-2H-pyran
CID 13166770
4,6-dimethyl-4H-1,3-dioxine;ethane
CID 144876595
1,3,5-triethylcyclopentene
CID 157204030
1-(3-ethylcyclobuten-1-yl)ethanone
CID 130027343
2-ethyl-4,6-dimethyl-2H-pyran
CID 177319691
3-ethyl-5-methyl-3H-furan-2-one
CID 10606746

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-5-methyl-2,3-dihydrofuran?
The IUPAC name of (3S)-3-ethyl-5-methyl-2,3-dihydrofuran (CID 163483277) is (3S)-3-ethyl-5-methyl-2,3-dihydrofuran.
What is the SMILES notation for (3S)-3-ethyl-5-methyl-2,3-dihydrofuran?
The canonical SMILES for (3S)-3-ethyl-5-methyl-2,3-dihydrofuran is CC[C@H]1C=C(C)OC1.
What is the InChIKey of (3S)-3-ethyl-5-methyl-2,3-dihydrofuran?
The InChIKey is CGKCBVOCRFWKNB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7-4-6(2)8-5-7/h4,7H,3,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-ethyl-5-methyl-2,3-dihydrofuran?
(3S)-3-ethyl-5-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 (3S)-3-ethyl-5-methyl-2,3-dihydrofuran is sourced from PubChem (CID 163483277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).