but-1-enoxymethylcyclohexane

C11H20O — CID 66838092

IUPACbut-1-enoxymethylcyclohexane
SMILESCCC=COCC1CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3,9,11H,2,4-8,10H2,1H3
InChIKeyXTOSZEAYHBAETQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds4

About but-1-enoxymethylcyclohexane

but-1-enoxymethylcyclohexane (PubChem CID 66838092) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is but-1-enoxymethylcyclohexane.

Molecular Properties

Compound Namebut-1-enoxymethylcyclohexane
PubChem CID66838092
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namebut-1-enoxymethylcyclohexane
SMILESCCC=COCC1CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3,9,11H,2,4-8,10H2,1H3
InChIKeyXTOSZEAYHBAETQ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
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-1-enoxymethylcyclohexane?
The IUPAC name of but-1-enoxymethylcyclohexane (CID 66838092) is but-1-enoxymethylcyclohexane.
What is the SMILES notation for but-1-enoxymethylcyclohexane?
The canonical SMILES for but-1-enoxymethylcyclohexane is CCC=COCC1CCCCC1.
What is the InChIKey of but-1-enoxymethylcyclohexane?
The InChIKey is XTOSZEAYHBAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3,9,11H,2,4-8,10H2,1H3.
What are the key properties of but-1-enoxymethylcyclohexane?
but-1-enoxymethylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enoxymethylcyclohexane is sourced from PubChem (CID 66838092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).