(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine

C12H14O2 — CID 134929154

IUPAC(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine
SMILESCc1ccc([C@H]2C=C[C@@H](C)OO2)cc1
InChIInChI=1S/C12H14O2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-14-12/h3-8,10,12H,1-2H3/t10-,12-/m1/s1
InChIKeyINRLWGNIWSXZLM-ZYHUDNBSSA-N
MW190.24 g/mol
LogP2.94
Rot. Bonds1

About (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine

(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine (PubChem CID 134929154) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine
PubChem CID134929154
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine
SMILESCc1ccc([C@H]2C=C[C@@H](C)OO2)cc1
InChIInChI=1S/C12H14O2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-14-12/h3-8,10,12H,1-2H3/t10-,12-/m1/s1
InChIKeyINRLWGNIWSXZLM-ZYHUDNBSSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.94
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 (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine?
The IUPAC name of (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine (CID 134929154) is (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine?
The canonical SMILES for (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine is Cc1ccc([C@H]2C=C[C@@H](C)OO2)cc1.
What is the InChIKey of (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine?
The InChIKey is INRLWGNIWSXZLM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-14-12/h3-8,10,12H,1-2H3/t10-,12-/m1/s1.
What are the key properties of (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine?
(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine has a molecular weight of 190.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 134929154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).