propan-2-yl propan-2-yloxycarbonyloxy carbonate

C8H14O6 — CID 7769

IUPACpropan-2-yl propan-2-yloxycarbonyloxy carbonate
SMILESCC(C)OC(=O)OOC(=O)OC(C)C
InChIInChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3
InChIKeyBWJUFXUULUEGMA-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.02
Rot. Bonds2

About propan-2-yl propan-2-yloxycarbonyloxy carbonate

propan-2-yl propan-2-yloxycarbonyloxy carbonate (PubChem CID 7769) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is propan-2-yl propan-2-yloxycarbonyloxy carbonate.

Molecular Properties

Compound Namepropan-2-yl propan-2-yloxycarbonyloxy carbonate
PubChem CID7769
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Namepropan-2-yl propan-2-yloxycarbonyloxy carbonate
SMILESCC(C)OC(=O)OOC(=O)OC(C)C
InChIInChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3
InChIKeyBWJUFXUULUEGMA-UHFFFAOYSA-N
XLogP2.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl propan-2-yloxycarbonyloxy carbonate?
The IUPAC name of propan-2-yl propan-2-yloxycarbonyloxy carbonate (CID 7769) is propan-2-yl propan-2-yloxycarbonyloxy carbonate.
What is the SMILES notation for propan-2-yl propan-2-yloxycarbonyloxy carbonate?
The canonical SMILES for propan-2-yl propan-2-yloxycarbonyloxy carbonate is CC(C)OC(=O)OOC(=O)OC(C)C.
What is the InChIKey of propan-2-yl propan-2-yloxycarbonyloxy carbonate?
The InChIKey is BWJUFXUULUEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3.
What are the key properties of propan-2-yl propan-2-yloxycarbonyloxy carbonate?
propan-2-yl propan-2-yloxycarbonyloxy carbonate has a molecular weight of 206.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl propan-2-yloxycarbonyloxy carbonate is sourced from PubChem (CID 7769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).