3-[(2-methylpropan-2-yl)oxy]butanenitrile

C8H15NO — CID 114995192

IUPAC3-[(2-methylpropan-2-yl)oxy]butanenitrile
SMILESCC(CC#N)OC(C)(C)C
InChIInChI=1S/C8H15NO/c1-7(5-6-9)10-8(2,3)4/h7H,5H2,1-4H3
InChIKeyRPLGONGKTFPBBA-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.10
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]butanenitrile

3-[(2-methylpropan-2-yl)oxy]butanenitrile (PubChem CID 114995192) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]butanenitrile.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]butanenitrile
PubChem CID114995192
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]butanenitrile
SMILESCC(CC#N)OC(C)(C)C
InChIInChI=1S/C8H15NO/c1-7(5-6-9)10-8(2,3)4/h7H,5H2,1-4H3
InChIKeyRPLGONGKTFPBBA-UHFFFAOYSA-N
XLogP2.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2-methylpropan-2-yl)oxy]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile
CID 64726569
3-(2,2,2-trifluoroethoxy)butanenitrile
CID 114995231
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
(3S)-4-bromo-3-methylbutanenitrile
CID 14216279
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
3-tert-butyl-5,5-dimethylhexanenitrile
CID 88560421
4-[(5R)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]morpholin-4-ium
CID 2054949
2,2,4-trimethylhexanedinitrile
CID 59281697
1-cyanopropan-2-yl 2-chloroacetate
CID 14815419
3-but-3-enoxybutanenitrile
CID 114995189
tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]butanenitrile?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]butanenitrile (CID 114995192) is 3-[(2-methylpropan-2-yl)oxy]butanenitrile.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]butanenitrile?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]butanenitrile is CC(CC#N)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]butanenitrile?
The InChIKey is RPLGONGKTFPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(5-6-9)10-8(2,3)4/h7H,5H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]butanenitrile?
3-[(2-methylpropan-2-yl)oxy]butanenitrile has a molecular weight of 141.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]butanenitrile is sourced from PubChem (CID 114995192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).