methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine

C15H21NO5 — CID 70536999

IUPACmethyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine
SMILESC1COCCN1.COC(=O)c1cccc2c1OC(C)(C)O2
InChIInChI=1S/C11H12O4.C4H9NO/c1-11(2)14-8-6-4-5-7(9(8)15-11)10(12)13-3;1-3-6-4-2-5-1/h4-6H,1-3H3;5H,1-4H2
InChIKeyPKWDWMLKQQFYHI-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.59
Rot. Bonds1

About methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine

methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine (PubChem CID 70536999) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine
PubChem CID70536999
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namemethyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine
SMILESC1COCCN1.COC(=O)c1cccc2c1OC(C)(C)O2
InChIInChI=1S/C11H12O4.C4H9NO/c1-11(2)14-8-6-4-5-7(9(8)15-11)10(12)13-3;1-3-6-4-2-5-1/h4-6H,1-3H3;5H,1-4H2
InChIKeyPKWDWMLKQQFYHI-UHFFFAOYSA-N
XLogP1.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine?
The IUPAC name of methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine (CID 70536999) is methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine.
What is the SMILES notation for methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine?
The canonical SMILES for methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine is C1COCCN1.COC(=O)c1cccc2c1OC(C)(C)O2.
What is the InChIKey of methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine?
The InChIKey is PKWDWMLKQQFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4.C4H9NO/c1-11(2)14-8-6-4-5-7(9(8)15-11)10(12)13-3;1-3-6-4-2-5-1/h4-6H,1-3H3;5H,1-4H2.
What are the key properties of methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine?
methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine has a molecular weight of 295.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-1,3-benzodioxole-4-carboxylate;morpholine is sourced from PubChem (CID 70536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).