ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium

C9H20NO+ — CID 144985153

IUPACethane;N-(2-methoxy-2-methylpropyl)acetonitrilium
SMILESCC.CC#[N+]CC(C)(C)OC
InChIInChI=1S/C7H14NO.C2H6/c1-5-8-6-7(2,3)9-4;1-2/h6H2,1-4H3;1-2H3/q+1;
InChIKeyRNNOUMZDAKLBMJ-UHFFFAOYSA-N
MW158.26 g/mol
LogP2.79
Rot. Bonds2

About ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium

ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium (PubChem CID 144985153) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium.

Molecular Properties

Compound Nameethane;N-(2-methoxy-2-methylpropyl)acetonitrilium
PubChem CID144985153
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nameethane;N-(2-methoxy-2-methylpropyl)acetonitrilium
SMILESCC.CC#[N+]CC(C)(C)OC
InChIInChI=1S/C7H14NO.C2H6/c1-5-8-6-7(2,3)9-4;1-2/h6H2,1-4H3;1-2H3/q+1;
InChIKeyRNNOUMZDAKLBMJ-UHFFFAOYSA-N
XLogP2.79
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium?
The IUPAC name of ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium (CID 144985153) is ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium.
What is the SMILES notation for ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium?
The canonical SMILES for ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium is CC.CC#[N+]CC(C)(C)OC.
What is the InChIKey of ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium?
The InChIKey is RNNOUMZDAKLBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.C2H6/c1-5-8-6-7(2,3)9-4;1-2/h6H2,1-4H3;1-2H3/q+1;.
What are the key properties of ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium?
ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium has a molecular weight of 158.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium is sourced from PubChem (CID 144985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).