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

C13H22O — CID 134964364

IUPAC(2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran
SMILESCC/C=C(\CC)[C@@H]1OCC(C)=C1CC
InChIInChI=1S/C13H22O/c1-5-8-11(6-2)13-12(7-3)10(4)9-14-13/h8,13H,5-7,9H2,1-4H3/b11-8+/t13-/m0/s1
InChIKeyVBBYPOHDFGRYCZ-YKWSONSWSA-N
MW194.32 g/mol
LogP3.86
Rot. Bonds4

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

(2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran (PubChem CID 134964364) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran
PubChem CID134964364
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran
SMILESCC/C=C(\CC)[C@@H]1OCC(C)=C1CC
InChIInChI=1S/C13H22O/c1-5-8-11(6-2)13-12(7-3)10(4)9-14-13/h8,13H,5-7,9H2,1-4H3/b11-8+/t13-/m0/s1
InChIKeyVBBYPOHDFGRYCZ-YKWSONSWSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.86
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
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
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
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran?
The IUPAC name of (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran (CID 134964364) is (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran.
What is the SMILES notation for (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran?
The canonical SMILES for (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran is CC/C=C(\CC)[C@@H]1OCC(C)=C1CC.
What is the InChIKey of (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran?
The InChIKey is VBBYPOHDFGRYCZ-YKWSONSWSA-N. The full InChI is InChI=1S/C13H22O/c1-5-8-11(6-2)13-12(7-3)10(4)9-14-13/h8,13H,5-7,9H2,1-4H3/b11-8+/t13-/m0/s1.
What are the key properties of (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran?
(2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran has a molecular weight of 194.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran is sourced from PubChem (CID 134964364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).