acetonitrile;2-methoxy-2-methylpropane

C7H15NO — CID 18457533

IUPACacetonitrile;2-methoxy-2-methylpropane
SMILESCC#N.COC(C)(C)C
InChIInChI=1S/C5H12O.C2H3N/c1-5(2,3)6-4;1-2-3/h1-4H3;1H3
InChIKeyDWZNQQMVUFPQMQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.96
Rot. Bonds

About acetonitrile;2-methoxy-2-methylpropane

acetonitrile;2-methoxy-2-methylpropane (PubChem CID 18457533) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is acetonitrile;2-methoxy-2-methylpropane.

Molecular Properties

Compound Nameacetonitrile;2-methoxy-2-methylpropane
PubChem CID18457533
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameacetonitrile;2-methoxy-2-methylpropane
SMILESCC#N.COC(C)(C)C
InChIInChI=1S/C5H12O.C2H3N/c1-5(2,3)6-4;1-2-3/h1-4H3;1H3
InChIKeyDWZNQQMVUFPQMQ-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-methoxy-2-methylpropane?
The IUPAC name of acetonitrile;2-methoxy-2-methylpropane (CID 18457533) is acetonitrile;2-methoxy-2-methylpropane.
What is the SMILES notation for acetonitrile;2-methoxy-2-methylpropane?
The canonical SMILES for acetonitrile;2-methoxy-2-methylpropane is CC#N.COC(C)(C)C.
What is the InChIKey of acetonitrile;2-methoxy-2-methylpropane?
The InChIKey is DWZNQQMVUFPQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C2H3N/c1-5(2,3)6-4;1-2-3/h1-4H3;1H3.
What are the key properties of acetonitrile;2-methoxy-2-methylpropane?
acetonitrile;2-methoxy-2-methylpropane has a molecular weight of 129.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-methoxy-2-methylpropane is sourced from PubChem (CID 18457533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).