2-[(3-ethylcyclohexen-1-yl)methyl]furan

C13H18O — CID 57284684

IUPAC2-[(3-ethylcyclohexen-1-yl)methyl]furan
SMILESCCC1C=C(Cc2ccco2)CCC1
InChIInChI=1S/C13H18O/c1-2-11-5-3-6-12(9-11)10-13-7-4-8-14-13/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyXENMXTQZVFXJSZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.96
Rot. Bonds3

About 2-[(3-ethylcyclohexen-1-yl)methyl]furan

2-[(3-ethylcyclohexen-1-yl)methyl]furan (PubChem CID 57284684) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexen-1-yl)methyl]furan.

Molecular Properties

Compound Name2-[(3-ethylcyclohexen-1-yl)methyl]furan
PubChem CID57284684
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-[(3-ethylcyclohexen-1-yl)methyl]furan
SMILESCCC1C=C(Cc2ccco2)CCC1
InChIInChI=1S/C13H18O/c1-2-11-5-3-6-12(9-11)10-13-7-4-8-14-13/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyXENMXTQZVFXJSZ-UHFFFAOYSA-N
XLogP3.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.96
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

2-(cyclopentyloxymethyl)furan
CID 57019215
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
3-(furan-2-ylmethoxy)cyclohexan-1-one
CID 79619136
2-(cyclobutylmethyl)furan
CID 139469251
2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine
CID 87686728
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085
2-(ethylperoxymethyl)furan
CID 175094388
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 54878651
2-[(2-methylsulfanylphenyl)methyl]furan
CID 21387627

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexen-1-yl)methyl]furan?
The IUPAC name of 2-[(3-ethylcyclohexen-1-yl)methyl]furan (CID 57284684) is 2-[(3-ethylcyclohexen-1-yl)methyl]furan.
What is the SMILES notation for 2-[(3-ethylcyclohexen-1-yl)methyl]furan?
The canonical SMILES for 2-[(3-ethylcyclohexen-1-yl)methyl]furan is CCC1C=C(Cc2ccco2)CCC1.
What is the InChIKey of 2-[(3-ethylcyclohexen-1-yl)methyl]furan?
The InChIKey is XENMXTQZVFXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-11-5-3-6-12(9-11)10-13-7-4-8-14-13/h4,7-9,11H,2-3,5-6,10H2,1H3.
What are the key properties of 2-[(3-ethylcyclohexen-1-yl)methyl]furan?
2-[(3-ethylcyclohexen-1-yl)methyl]furan has a molecular weight of 190.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexen-1-yl)methyl]furan is sourced from PubChem (CID 57284684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).