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

C11H18O2 — CID 16727770

IUPAC(3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
SMILESC1=C[C@@H](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/t11-/m0/s1
InChIKeyLNLOAPSDHMSSHX-NSHDSACASA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds2

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

(3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine (PubChem CID 16727770) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name(3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
PubChem CID16727770
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
SMILESC1=C[C@@H](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/t11-/m0/s1
InChIKeyLNLOAPSDHMSSHX-NSHDSACASA-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

(3S,6R)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine
CID 11276765
(3R)-3-cyclohexyl-3,6-dihydro-1,2-dioxine
CID 11701108
(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine
CID 15956213
4-Cyclohexyl-3,6-dihydro-1,2-dioxine
CID 16727769
2-cyclohexyl-3,6-dihydro-2H-pyran
CID 11126643
2H-Pyran, 2-cyclohexyl-5,6-dihydro-
CID 11829812
2-Cyclohexyl-2,5-dihydrofuran
CID 15368674
(2R)-2-cyclohexyl-2,5-dihydrofuran
CID 118013458
3-Cyclohexyl-3,6-dihydro-1,2-dioxine
CID 11309742
(6R)-6-cyclohexyl-3,6-dihydro-2H-pyran
CID 12023482
(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
CID 12023486
(Z)-1-cyclohexylbut-2-ene-1,4-diol
CID 13440550

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
The IUPAC name of (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine (CID 16727770) is (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
The canonical SMILES for (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine is C1=C[C@@H](CC2CCCCC2)OOC1.
What is the InChIKey of (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
The InChIKey is LNLOAPSDHMSSHX-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine?
(3R)-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 (3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 16727770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).