3-ethyl-4-propan-2-yl-2,5-dihydrofuran

C9H16O — CID 129153385

IUPAC3-ethyl-4-propan-2-yl-2,5-dihydrofuran
SMILESCCC1=C(C(C)C)COC1
InChIInChI=1S/C9H16O/c1-4-8-5-10-6-9(8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyVUDCWOCIJRRJQU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 3-ethyl-4-propan-2-yl-2,5-dihydrofuran

3-ethyl-4-propan-2-yl-2,5-dihydrofuran (PubChem CID 129153385) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-ethyl-4-propan-2-yl-2,5-dihydrofuran
PubChem CID129153385
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethyl-4-propan-2-yl-2,5-dihydrofuran
SMILESCCC1=C(C(C)C)COC1
InChIInChI=1S/C9H16O/c1-4-8-5-10-6-9(8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyVUDCWOCIJRRJQU-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

1-Butoxy-2,4-dimethyl-2-pentene
CID 5366210
1-(2-Methylbutoxy)-2-(propan-2-ylidene)cyclopropane
CID 53440394
2,3,4,5,5-pentamethyl-2H-furan
CID 22910011
3,4-Di(propan-2-yl)-2,5-dihydrofuran
CID 57632404
3-Propan-2-yl-2,5-dihydrofuran
CID 57750798
3,4-Ditert-butyl-2,5-dihydrofuran
CID 58778253
5-methylidene-3,4-di(propan-2-yl)-2H-furan
CID 60125737
3-(2,4-Dimethylpentan-3-ylidene)oxolane
CID 68354003
3,4-Diethyl-2,5-dihydrofuran
CID 68373374
3-Tert-butyl-4-ethyl-2,5-dihydrofuran
CID 68391640
3-Methyl-4-propan-2-yl-2,5-dihydrofuran
CID 68391828
4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
CID 89027315

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 3-ethyl-4-propan-2-yl-2,5-dihydrofuran (CID 129153385) is 3-ethyl-4-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 3-ethyl-4-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 3-ethyl-4-propan-2-yl-2,5-dihydrofuran is CCC1=C(C(C)C)COC1.
What is the InChIKey of 3-ethyl-4-propan-2-yl-2,5-dihydrofuran?
The InChIKey is VUDCWOCIJRRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8-5-10-6-9(8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-yl-2,5-dihydrofuran?
3-ethyl-4-propan-2-yl-2,5-dihydrofuran has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 129153385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).