bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate

C11H18O7 — CID 11780301

IUPACbis[(2-methylpropan-2-yl)oxycarbonyl] carbonate
SMILESCC(C)(C)OC(=O)OC(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O7/c1-10(2,3)17-8(13)15-7(12)16-9(14)18-11(4,5)6/h1-6H3
InChIKeyYZVKCRIFBGZDNI-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.01
Rot. Bonds

About bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate

bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate (PubChem CID 11780301) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxycarbonyl] carbonate
PubChem CID11780301
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namebis[(2-methylpropan-2-yl)oxycarbonyl] carbonate
SMILESCC(C)(C)OC(=O)OC(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O7/c1-10(2,3)17-8(13)15-7(12)16-9(14)18-11(4,5)6/h1-6H3
InChIKeyYZVKCRIFBGZDNI-UHFFFAOYSA-N
XLogP3.01
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate?
The IUPAC name of bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate (CID 11780301) is bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate is CC(C)(C)OC(=O)OC(=O)OC(=O)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate?
The InChIKey is YZVKCRIFBGZDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-10(2,3)17-8(13)15-7(12)16-9(14)18-11(4,5)6/h1-6H3.
What are the key properties of bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate?
bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate has a molecular weight of 262.26 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate is sourced from PubChem (CID 11780301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).