5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine

C26H37NO2 — CID 4307907

IUPAC5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine
SMILESCc1cccc(C)c1C(OCC1CN(C(C)C)C(C)(C)O1)c1c(C)cccc1C
InChIInChI=1S/C26H37NO2/c1-17(2)27-15-22(29-26(27,7)8)16-28-25(23-18(3)11-9-12-19(23)4)24-20(5)13-10-14-21(24)6/h9-14,17,22,25H,15-16H2,1-8H3
InChIKeyVFTYZNALKQIWPV-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.87
Rot. Bonds6

About 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine

5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine (PubChem CID 4307907) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine
PubChem CID4307907
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine
SMILESCc1cccc(C)c1C(OCC1CN(C(C)C)C(C)(C)O1)c1c(C)cccc1C
InChIInChI=1S/C26H37NO2/c1-17(2)27-15-22(29-26(27,7)8)16-28-25(23-18(3)11-9-12-19(23)4)24-20(5)13-10-14-21(24)6/h9-14,17,22,25H,15-16H2,1-8H3
InChIKeyVFTYZNALKQIWPV-UHFFFAOYSA-N
XLogP5.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine (CID 4307907) is 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine is Cc1cccc(C)c1C(OCC1CN(C(C)C)C(C)(C)O1)c1c(C)cccc1C.
What is the InChIKey of 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine?
The InChIKey is VFTYZNALKQIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-17(2)27-15-22(29-26(27,7)8)16-28-25(23-18(3)11-9-12-19(23)4)24-20(5)13-10-14-21(24)6/h9-14,17,22,25H,15-16H2,1-8H3.
What are the key properties of 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine?
5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine has a molecular weight of 395.59 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2,6-dimethylphenyl)methoxymethyl]-2,2-dimethyl-3-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 4307907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).