2-methoxy-2-(3-methylcyclohexyl)acetonitrile

C10H17NO — CID 66072356

IUPAC2-methoxy-2-(3-methylcyclohexyl)acetonitrile
SMILESCOC(C#N)C1CCCC(C)C1
InChIInChI=1S/C10H17NO/c1-8-4-3-5-9(6-8)10(7-11)12-2/h8-10H,3-6H2,1-2H3
InChIKeyABDBVVPPTMULKS-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds2

About 2-methoxy-2-(3-methylcyclohexyl)acetonitrile

2-methoxy-2-(3-methylcyclohexyl)acetonitrile (PubChem CID 66072356) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methoxy-2-(3-methylcyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-methoxy-2-(3-methylcyclohexyl)acetonitrile
PubChem CID66072356
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methoxy-2-(3-methylcyclohexyl)acetonitrile
SMILESCOC(C#N)C1CCCC(C)C1
InChIInChI=1S/C10H17NO/c1-8-4-3-5-9(6-8)10(7-11)12-2/h8-10H,3-6H2,1-2H3
InChIKeyABDBVVPPTMULKS-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-methylcyclohexyl)acetonitrile?
The IUPAC name of 2-methoxy-2-(3-methylcyclohexyl)acetonitrile (CID 66072356) is 2-methoxy-2-(3-methylcyclohexyl)acetonitrile.
What is the SMILES notation for 2-methoxy-2-(3-methylcyclohexyl)acetonitrile?
The canonical SMILES for 2-methoxy-2-(3-methylcyclohexyl)acetonitrile is COC(C#N)C1CCCC(C)C1.
What is the InChIKey of 2-methoxy-2-(3-methylcyclohexyl)acetonitrile?
The InChIKey is ABDBVVPPTMULKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-3-5-9(6-8)10(7-11)12-2/h8-10H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-2-(3-methylcyclohexyl)acetonitrile?
2-methoxy-2-(3-methylcyclohexyl)acetonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-methylcyclohexyl)acetonitrile is sourced from PubChem (CID 66072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).