cyclohexene;oxane

C11H20O — CID 158692863

IUPACcyclohexene;oxane
SMILESC1=CCCCC1.C1CCOCC1
InChIInChI=1S/C6H10.C5H10O/c2*1-2-4-6-5-3-1/h1-2H,3-6H2;1-5H2
InChIKeyIGONDPIZPLAUSP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds

About cyclohexene;oxane

cyclohexene;oxane (PubChem CID 158692863) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is cyclohexene;oxane.

Molecular Properties

Compound Namecyclohexene;oxane
PubChem CID158692863
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namecyclohexene;oxane
SMILESC1=CCCCC1.C1CCOCC1
InChIInChI=1S/C6H10.C5H10O/c2*1-2-4-6-5-3-1/h1-2H,3-6H2;1-5H2
InChIKeyIGONDPIZPLAUSP-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8E)-1-oxacyclopentadec-8-ene
CID 21222299
1-oxacyclotricos-18-ene
CID 57206831
cyclobutane;cycloheptane;bis(cyclohexane);cyclopentane;cyclopentene;cyclopropane;oxane
CID 158750848
1-oxacyclohexadeca-7,14-diene
CID 69016364
1-oxacyclohexadec-14-ene
CID 91141688
(18E)-1-oxacycloicos-18-ene
CID 21321167
cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane
CID 159317335
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083

Frequently Asked Questions

What is the IUPAC name of cyclohexene;oxane?
The IUPAC name of cyclohexene;oxane (CID 158692863) is cyclohexene;oxane.
What is the SMILES notation for cyclohexene;oxane?
The canonical SMILES for cyclohexene;oxane is C1=CCCCC1.C1CCOCC1.
What is the InChIKey of cyclohexene;oxane?
The InChIKey is IGONDPIZPLAUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H10O/c2*1-2-4-6-5-3-1/h1-2H,3-6H2;1-5H2.
What are the key properties of cyclohexene;oxane?
cyclohexene;oxane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;oxane is sourced from PubChem (CID 158692863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).