4-cyclohexyl-3,6-dihydro-1,2-dioxine

C10H16O2 — CID 16727769

IUPAC4-cyclohexyl-3,6-dihydro-1,2-dioxine
SMILESC1=C(C2CCCCC2)COOC1
InChIInChI=1S/C10H16O2/c1-2-4-9(5-3-1)10-6-7-11-12-8-10/h6,9H,1-5,7-8H2
InChIKeyLVWFERDGQYSCNU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds1

About 4-cyclohexyl-3,6-dihydro-1,2-dioxine

4-cyclohexyl-3,6-dihydro-1,2-dioxine (PubChem CID 16727769) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-cyclohexyl-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name4-cyclohexyl-3,6-dihydro-1,2-dioxine
PubChem CID16727769
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-cyclohexyl-3,6-dihydro-1,2-dioxine
SMILESC1=C(C2CCCCC2)COOC1
InChIInChI=1S/C10H16O2/c1-2-4-9(5-3-1)10-6-7-11-12-8-10/h6,9H,1-5,7-8H2
InChIKeyLVWFERDGQYSCNU-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,6-dihydro-1,2-dioxine?
The IUPAC name of 4-cyclohexyl-3,6-dihydro-1,2-dioxine (CID 16727769) is 4-cyclohexyl-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for 4-cyclohexyl-3,6-dihydro-1,2-dioxine?
The canonical SMILES for 4-cyclohexyl-3,6-dihydro-1,2-dioxine is C1=C(C2CCCCC2)COOC1.
What is the InChIKey of 4-cyclohexyl-3,6-dihydro-1,2-dioxine?
The InChIKey is LVWFERDGQYSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-4-9(5-3-1)10-6-7-11-12-8-10/h6,9H,1-5,7-8H2.
What are the key properties of 4-cyclohexyl-3,6-dihydro-1,2-dioxine?
4-cyclohexyl-3,6-dihydro-1,2-dioxine has a molecular weight of 168.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 16727769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).