but-2-en-2-yloxycyclohexane

C10H18O — CID 175227719

IUPACbut-2-en-2-yloxycyclohexane
SMILESCC=C(C)OC1CCCCC1
InChIInChI=1S/C10H18O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3
InChIKeyIOMQMFVCORRGDT-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.26
Rot. Bonds2

About but-2-en-2-yloxycyclohexane

but-2-en-2-yloxycyclohexane (PubChem CID 175227719) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is but-2-en-2-yloxycyclohexane.

Molecular Properties

Compound Namebut-2-en-2-yloxycyclohexane
PubChem CID175227719
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namebut-2-en-2-yloxycyclohexane
SMILESCC=C(C)OC1CCCCC1
InChIInChI=1S/C10H18O/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3
InChIKeyIOMQMFVCORRGDT-UHFFFAOYSA-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 but-2-en-2-yloxycyclohexane?
The IUPAC name of but-2-en-2-yloxycyclohexane (CID 175227719) is but-2-en-2-yloxycyclohexane.
What is the SMILES notation for but-2-en-2-yloxycyclohexane?
The canonical SMILES for but-2-en-2-yloxycyclohexane is CC=C(C)OC1CCCCC1.
What is the InChIKey of but-2-en-2-yloxycyclohexane?
The InChIKey is IOMQMFVCORRGDT-UHFFFAOYSA-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.
What are the key properties of but-2-en-2-yloxycyclohexane?
but-2-en-2-yloxycyclohexane 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 but-2-en-2-yloxycyclohexane is sourced from PubChem (CID 175227719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).