propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate

C12H16N2O6 — CID 70240221

IUPACpropan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate
SMILESCC(C)OC(=O)Oc1ccc(OC(=O)OC(C)C)nn1
InChIInChI=1S/C12H16N2O6/c1-7(2)17-11(15)19-9-5-6-10(14-13-9)20-12(16)18-8(3)4/h5-8H,1-4H3
InChIKeyMUBANTPMOXJSQK-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.32
Rot. Bonds4

About propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate

propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate (PubChem CID 70240221) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate.

Molecular Properties

Compound Namepropan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate
PubChem CID70240221
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Namepropan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate
SMILESCC(C)OC(=O)Oc1ccc(OC(=O)OC(C)C)nn1
InChIInChI=1S/C12H16N2O6/c1-7(2)17-11(15)19-9-5-6-10(14-13-9)20-12(16)18-8(3)4/h5-8H,1-4H3
InChIKeyMUBANTPMOXJSQK-UHFFFAOYSA-N
XLogP2.32
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate?
The IUPAC name of propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate (CID 70240221) is propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate.
What is the SMILES notation for propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate?
The canonical SMILES for propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate is CC(C)OC(=O)Oc1ccc(OC(=O)OC(C)C)nn1.
What is the InChIKey of propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate?
The InChIKey is MUBANTPMOXJSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-7(2)17-11(15)19-9-5-6-10(14-13-9)20-12(16)18-8(3)4/h5-8H,1-4H3.
What are the key properties of propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate?
propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate has a molecular weight of 284.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate is sourced from PubChem (CID 70240221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).