2-ethyl-3-propan-2-yloxybutanenitrile

C9H17NO — CID 138703203

IUPAC2-ethyl-3-propan-2-yloxybutanenitrile
SMILESCCC(C#N)C(C)OC(C)C
InChIInChI=1S/C9H17NO/c1-5-9(6-10)8(4)11-7(2)3/h7-9H,5H2,1-4H3
InChIKeyZZSFBIZISLRMHH-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.35
Rot. Bonds4

About 2-ethyl-3-propan-2-yloxybutanenitrile

2-ethyl-3-propan-2-yloxybutanenitrile (PubChem CID 138703203) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yloxybutanenitrile.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yloxybutanenitrile
PubChem CID138703203
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-ethyl-3-propan-2-yloxybutanenitrile
SMILESCCC(C#N)C(C)OC(C)C
InChIInChI=1S/C9H17NO/c1-5-9(6-10)8(4)11-7(2)3/h7-9H,5H2,1-4H3
InChIKeyZZSFBIZISLRMHH-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
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-ethyl-3-propan-2-yloxybutanenitrile?
The IUPAC name of 2-ethyl-3-propan-2-yloxybutanenitrile (CID 138703203) is 2-ethyl-3-propan-2-yloxybutanenitrile.
What is the SMILES notation for 2-ethyl-3-propan-2-yloxybutanenitrile?
The canonical SMILES for 2-ethyl-3-propan-2-yloxybutanenitrile is CCC(C#N)C(C)OC(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-yloxybutanenitrile?
The InChIKey is ZZSFBIZISLRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(6-10)8(4)11-7(2)3/h7-9H,5H2,1-4H3.
What are the key properties of 2-ethyl-3-propan-2-yloxybutanenitrile?
2-ethyl-3-propan-2-yloxybutanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yloxybutanenitrile is sourced from PubChem (CID 138703203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).