2-methyl-2-(oxolan-2-ylmethyl)butanenitrile

C10H17NO — CID 65379326

IUPAC2-methyl-2-(oxolan-2-ylmethyl)butanenitrile
SMILESCCC(C)(C#N)CC1CCCO1
InChIInChI=1S/C10H17NO/c1-3-10(2,8-11)7-9-5-4-6-12-9/h9H,3-7H2,1-2H3
InChIKeyITKBHPOPISBLRJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.50
Rot. Bonds3

About 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile

2-methyl-2-(oxolan-2-ylmethyl)butanenitrile (PubChem CID 65379326) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(oxolan-2-ylmethyl)butanenitrile
PubChem CID65379326
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-2-(oxolan-2-ylmethyl)butanenitrile
SMILESCCC(C)(C#N)CC1CCCO1
InChIInChI=1S/C10H17NO/c1-3-10(2,8-11)7-9-5-4-6-12-9/h9H,3-7H2,1-2H3
InChIKeyITKBHPOPISBLRJ-UHFFFAOYSA-N
XLogP2.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(5,5-Dimethyloxolan-2-yl)propanenitrile
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3-(4-Tert-butylcyclohexyl)-2-ethoxypropanenitrile
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2-(2-Methyl-5-propan-2-yloxolan-2-yl)acetonitrile
CID 20574261
4-Pentyloxane-4-carbonitrile
CID 65379353
2-Tert-butyl-1-oxaspiro[4.5]decane-3-carbonitrile
CID 67803137
4-Pentyloxolane-2-carbonitrile
CID 67817135
1-Heptyl-4-methoxycyclohexane-1-carbonitrile
CID 67944191
2,2-Bis(oxolan-2-yl)propanenitrile
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile?
The IUPAC name of 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile (CID 65379326) is 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile.
What is the SMILES notation for 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile?
The canonical SMILES for 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile is CCC(C)(C#N)CC1CCCO1.
What is the InChIKey of 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile?
The InChIKey is ITKBHPOPISBLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(2,8-11)7-9-5-4-6-12-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile?
2-methyl-2-(oxolan-2-ylmethyl)butanenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-2-ylmethyl)butanenitrile is sourced from PubChem (CID 65379326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).