2-butyl-4-prop-2-enyl-2,5-dihydrofuran

C11H18O — CID 11052025

IUPAC2-butyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=CC(CCCC)OC1
InChIInChI=1S/C11H18O/c1-3-5-7-11-8-10(6-4-2)9-12-11/h4,8,11H,2-3,5-7,9H2,1H3
InChIKeyHXPQTLWGAFZKLL-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds5

About 2-butyl-4-prop-2-enyl-2,5-dihydrofuran

2-butyl-4-prop-2-enyl-2,5-dihydrofuran (PubChem CID 11052025) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-butyl-4-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-butyl-4-prop-2-enyl-2,5-dihydrofuran
PubChem CID11052025
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-butyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=CC(CCCC)OC1
InChIInChI=1S/C11H18O/c1-3-5-7-11-8-10(6-4-2)9-12-11/h4,8,11H,2-3,5-7,9H2,1H3
InChIKeyHXPQTLWGAFZKLL-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

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CID 61275
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4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(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-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
Quinceoxepine
CID 131752304
(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
CID 24744770
Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832
(2S)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600447

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 2-butyl-4-prop-2-enyl-2,5-dihydrofuran (CID 11052025) is 2-butyl-4-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 2-butyl-4-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 2-butyl-4-prop-2-enyl-2,5-dihydrofuran is C=CCC1=CC(CCCC)OC1.
What is the InChIKey of 2-butyl-4-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is HXPQTLWGAFZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-7-11-8-10(6-4-2)9-12-11/h4,8,11H,2-3,5-7,9H2,1H3.
What are the key properties of 2-butyl-4-prop-2-enyl-2,5-dihydrofuran?
2-butyl-4-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 166.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 11052025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).