2-[1-[(E)-but-2-enoxy]cyclohexyl]furan

C14H20O2 — CID 10911088

IUPAC2-[1-[(E)-but-2-enoxy]cyclohexyl]furan
SMILESC/C=C/COC1(c2ccco2)CCCCC1
InChIInChI=1S/C14H20O2/c1-2-3-12-16-14(9-5-4-6-10-14)13-8-7-11-15-13/h2-3,7-8,11H,4-6,9-10,12H2,1H3/b3-2+
InChIKeyNVFAVBYNIUYAMM-NSCUHMNNSA-N
MW220.31 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan

2-[1-[(E)-but-2-enoxy]cyclohexyl]furan (PubChem CID 10911088) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enoxy]cyclohexyl]furan
PubChem CID10911088
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[1-[(E)-but-2-enoxy]cyclohexyl]furan
SMILESC/C=C/COC1(c2ccco2)CCCCC1
InChIInChI=1S/C14H20O2/c1-2-3-12-16-14(9-5-4-6-10-14)13-8-7-11-15-13/h2-3,7-8,11H,4-6,9-10,12H2,1H3/b3-2+
InChIKeyNVFAVBYNIUYAMM-NSCUHMNNSA-N
XLogP4.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan?
The IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan (CID 10911088) is 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan.
What is the SMILES notation for 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan?
The canonical SMILES for 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan is C/C=C/COC1(c2ccco2)CCCCC1.
What is the InChIKey of 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan?
The InChIKey is NVFAVBYNIUYAMM-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-12-16-14(9-5-4-6-10-14)13-8-7-11-15-13/h2-3,7-8,11H,4-6,9-10,12H2,1H3/b3-2+.
What are the key properties of 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan?
2-[1-[(E)-but-2-enoxy]cyclohexyl]furan has a molecular weight of 220.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enoxy]cyclohexyl]furan is sourced from PubChem (CID 10911088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).