carbon dioxide;1-methoxy-2-methylpropane

C6H12O3 — CID 157258706

IUPACcarbon dioxide;1-methoxy-2-methylpropane
SMILESCOCC(C)C.O=C=O
InChIInChI=1S/C5H12O.CO2/c1-5(2)4-6-3;2-1-3/h5H,4H2,1-3H3;
InChIKeyAXEVMPSHUATQNX-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.71
Rot. Bonds2

About carbon dioxide;1-methoxy-2-methylpropane

carbon dioxide;1-methoxy-2-methylpropane (PubChem CID 157258706) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is carbon dioxide;1-methoxy-2-methylpropane.

Molecular Properties

Compound Namecarbon dioxide;1-methoxy-2-methylpropane
PubChem CID157258706
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namecarbon dioxide;1-methoxy-2-methylpropane
SMILESCOCC(C)C.O=C=O
InChIInChI=1S/C5H12O.CO2/c1-5(2)4-6-3;2-1-3/h5H,4H2,1-3H3;
InChIKeyAXEVMPSHUATQNX-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-methoxy-2-methylpropane?
The IUPAC name of carbon dioxide;1-methoxy-2-methylpropane (CID 157258706) is carbon dioxide;1-methoxy-2-methylpropane.
What is the SMILES notation for carbon dioxide;1-methoxy-2-methylpropane?
The canonical SMILES for carbon dioxide;1-methoxy-2-methylpropane is COCC(C)C.O=C=O.
What is the InChIKey of carbon dioxide;1-methoxy-2-methylpropane?
The InChIKey is AXEVMPSHUATQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.CO2/c1-5(2)4-6-3;2-1-3/h5H,4H2,1-3H3;.
What are the key properties of carbon dioxide;1-methoxy-2-methylpropane?
carbon dioxide;1-methoxy-2-methylpropane has a molecular weight of 132.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-methoxy-2-methylpropane is sourced from PubChem (CID 157258706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).