2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine

C14H19NO4 — CID 71108844

IUPAC2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine
SMILESCC1OC(C2(c3ccccn3)COC(C)(C)OC2)O1
InChIInChI=1S/C14H19NO4/c1-10-18-12(19-10)14(11-6-4-5-7-15-11)8-16-13(2,3)17-9-14/h4-7,10,12H,8-9H2,1-3H3
InChIKeyMCROESCSHDNAJT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.82
Rot. Bonds2

About 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine

2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine (PubChem CID 71108844) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine.

Molecular Properties

Compound Name2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine
PubChem CID71108844
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine
SMILESCC1OC(C2(c3ccccn3)COC(C)(C)OC2)O1
InChIInChI=1S/C14H19NO4/c1-10-18-12(19-10)14(11-6-4-5-7-15-11)8-16-13(2,3)17-9-14/h4-7,10,12H,8-9H2,1-3H3
InChIKeyMCROESCSHDNAJT-UHFFFAOYSA-N
XLogP1.82
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine?
The IUPAC name of 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine (CID 71108844) is 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine.
What is the SMILES notation for 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine?
The canonical SMILES for 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine is CC1OC(C2(c3ccccn3)COC(C)(C)OC2)O1.
What is the InChIKey of 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine?
The InChIKey is MCROESCSHDNAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-18-12(19-10)14(11-6-4-5-7-15-11)8-16-13(2,3)17-9-14/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine?
2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine has a molecular weight of 265.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-dioxan-5-yl]pyridine is sourced from PubChem (CID 71108844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).