1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol

C11H16O2 — CID 115816917

IUPAC1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)c1ccc(CC)o1
InChIInChI=1S/C11H16O2/c1-4-9-5-6-11(13-9)10(12)7-8(2)3/h5-6,10,12H,2,4,7H2,1,3H3
InChIKeyCZJYNRBXEYDCKS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol

1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol (PubChem CID 115816917) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol
PubChem CID115816917
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)c1ccc(CC)o1
InChIInChI=1S/C11H16O2/c1-4-9-5-6-11(13-9)10(12)7-8(2)3/h5-6,10,12H,2,4,7H2,1,3H3
InChIKeyCZJYNRBXEYDCKS-UHFFFAOYSA-N
XLogP2.84
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(5-ethylfuran-2-yl)but-3-en-1-ol
CID 24890410
N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
CID 105004038
1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
[1-(5-ethylfuran-2-yl)-3-methylidenepentyl]hydrazine
CID 105320395
2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol
CID 63895693
1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616165
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 65149874
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol (CID 115816917) is 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)c1ccc(CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol?
The InChIKey is CZJYNRBXEYDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-9-5-6-11(13-9)10(12)7-8(2)3/h5-6,10,12H,2,4,7H2,1,3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol?
1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 115816917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).