(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran

C11H18O — CID 134964384

IUPAC(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran
SMILESC/C=C(\C)[C@@H]1OCC(CC)=C1C
InChIInChI=1S/C11H18O/c1-5-8(3)11-9(4)10(6-2)7-12-11/h5,11H,6-7H2,1-4H3/b8-5+/t11-/m0/s1
InChIKeyAYQQQQWQCJKXRH-BWNDKRECSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds2

About (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran

(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran (PubChem CID 134964384) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran
PubChem CID134964384
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran
SMILESC/C=C(\C)[C@@H]1OCC(CC)=C1C
InChIInChI=1S/C11H18O/c1-5-8(3)11-9(4)10(6-2)7-12-11/h5,11H,6-7H2,1-4H3/b8-5+/t11-/m0/s1
InChIKeyAYQQQQWQCJKXRH-BWNDKRECSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(+-)-Nerol oxide
CID 61275
(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
Digeranyl ether
CID 6441535
Cyclopentene, 3,3'-oxybis-
CID 27061
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Farnesyl methyl ether
CID 5365855
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
3-Methoxy-1-cyclopentene
CID 142383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran?
The IUPAC name of (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran (CID 134964384) is (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran.
What is the SMILES notation for (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran?
The canonical SMILES for (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran is C/C=C(\C)[C@@H]1OCC(CC)=C1C.
What is the InChIKey of (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran?
The InChIKey is AYQQQQWQCJKXRH-BWNDKRECSA-N. The full InChI is InChI=1S/C11H18O/c1-5-8(3)11-9(4)10(6-2)7-12-11/h5,11H,6-7H2,1-4H3/b8-5+/t11-/m0/s1.
What are the key properties of (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran?
(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran has a molecular weight of 166.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran is sourced from PubChem (CID 134964384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).