[(E)-but-2-en-2-yl]oxycyclohexane

C10H18O — CID 145479229

IUPAC[(E)-but-2-en-2-yl]oxycyclohexane
SMILESC/C=C(\C)OC1CCCCC1
InChIInChI=1S/C10H18O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3/b9-3+
InChIKeyIOMQMFVCORRGDT-YCRREMRBSA-N
MW154.25 g/mol
LogP3.26
Rot. Bonds2

About [(E)-but-2-en-2-yl]oxycyclohexane

[(E)-but-2-en-2-yl]oxycyclohexane (PubChem CID 145479229) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]oxycyclohexane.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]oxycyclohexane
PubChem CID145479229
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(E)-but-2-en-2-yl]oxycyclohexane
SMILESC/C=C(\C)OC1CCCCC1
InChIInChI=1S/C10H18O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3/b9-3+
InChIKeyIOMQMFVCORRGDT-YCRREMRBSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl]oxycyclohexane?
The IUPAC name of [(E)-but-2-en-2-yl]oxycyclohexane (CID 145479229) is [(E)-but-2-en-2-yl]oxycyclohexane.
What is the SMILES notation for [(E)-but-2-en-2-yl]oxycyclohexane?
The canonical SMILES for [(E)-but-2-en-2-yl]oxycyclohexane is C/C=C(\C)OC1CCCCC1.
What is the InChIKey of [(E)-but-2-en-2-yl]oxycyclohexane?
The InChIKey is IOMQMFVCORRGDT-YCRREMRBSA-N. The full InChI is InChI=1S/C10H18O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3/b9-3+.
What are the key properties of [(E)-but-2-en-2-yl]oxycyclohexane?
[(E)-but-2-en-2-yl]oxycyclohexane has a molecular weight of 154.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]oxycyclohexane is sourced from PubChem (CID 145479229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).