[(E)-but-2-enoxy]cyclohexane

C10H18O — CID 24857577

IUPAC[(E)-but-2-enoxy]cyclohexane
SMILESC/C=C/COC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h2-3,10H,4-9H2,1H3/b3-2+
InChIKeyWWMNHJSVTCIMGA-NSCUHMNNSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds3

About [(E)-but-2-enoxy]cyclohexane

[(E)-but-2-enoxy]cyclohexane (PubChem CID 24857577) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(E)-but-2-enoxy]cyclohexane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]cyclohexane
PubChem CID24857577
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(E)-but-2-enoxy]cyclohexane
SMILESC/C=C/COC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h2-3,10H,4-9H2,1H3/b3-2+
InChIKeyWWMNHJSVTCIMGA-NSCUHMNNSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E)-but-2-enoxy]cyclohexane?
The IUPAC name of [(E)-but-2-enoxy]cyclohexane (CID 24857577) is [(E)-but-2-enoxy]cyclohexane.
What is the SMILES notation for [(E)-but-2-enoxy]cyclohexane?
The canonical SMILES for [(E)-but-2-enoxy]cyclohexane is C/C=C/COC1CCCCC1.
What is the InChIKey of [(E)-but-2-enoxy]cyclohexane?
The InChIKey is WWMNHJSVTCIMGA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h2-3,10H,4-9H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enoxy]cyclohexane?
[(E)-but-2-enoxy]cyclohexane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]cyclohexane is sourced from PubChem (CID 24857577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).