3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine

C11H18O2 — CID 11367389

IUPAC3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
SMILESC1=CC(CC2CCCCC2)OOC1
InChIInChI=1S/C11H18O2/c1-2-5-10(6-3-1)9-11-7-4-8-12-13-11/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyLNLOAPSDHMSSHX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds2

About 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine

3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine (PubChem CID 11367389) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
PubChem CID11367389
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
SMILESC1=CC(CC2CCCCC2)OOC1
InChIInChI=1S/C11H18O2/c1-2-5-10(6-3-1)9-11-7-4-8-12-13-11/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyLNLOAPSDHMSSHX-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
The IUPAC name of 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine (CID 11367389) is 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
The canonical SMILES for 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine is C1=CC(CC2CCCCC2)OOC1.
What is the InChIKey of 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
The InChIKey is LNLOAPSDHMSSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-5-10(6-3-1)9-11-7-4-8-12-13-11/h4,7,10-11H,1-3,5-6,8-9H2.
What are the key properties of 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine has a molecular weight of 182.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 11367389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).