(2S)-2-methoxy-3-methylbutanenitrile

C6H11NO — CID 97030930

IUPAC(2S)-2-methoxy-3-methylbutanenitrile
SMILESCO[C@H](C#N)C(C)C
InChIInChI=1S/C6H11NO/c1-5(2)6(4-7)8-3/h5-6H,1-3H3/t6-/m1/s1
InChIKeyGCSRYTQWKGSJBT-ZCFIWIBFSA-N
MW113.16 g/mol
LogP1.18
Rot. Bonds2

About (2S)-2-methoxy-3-methylbutanenitrile

(2S)-2-methoxy-3-methylbutanenitrile (PubChem CID 97030930) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2S)-2-methoxy-3-methylbutanenitrile.

Molecular Properties

Compound Name(2S)-2-methoxy-3-methylbutanenitrile
PubChem CID97030930
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2S)-2-methoxy-3-methylbutanenitrile
SMILESCO[C@H](C#N)C(C)C
InChIInChI=1S/C6H11NO/c1-5(2)6(4-7)8-3/h5-6H,1-3H3/t6-/m1/s1
InChIKeyGCSRYTQWKGSJBT-ZCFIWIBFSA-N
XLogP1.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-trimethylsilyloxybutanenitrile
CID 102329282
(2S)-2,3-dimethoxypropanenitrile
CID 92976102
2-dihydroxyphosphinothioyloxy-3-methylbutanenitrile
CID 172687630
2-methoxy-5-methylhexanenitrile
CID 130959387
5-methoxy-6-methylhept-3-yne
CID 160743757
2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837
2-(2,2-dimethoxyethyl)propanedinitrile
CID 11008134
3,4,5-trimethoxy-2,6-dimethylheptane
CID 58100186
2-methoxyhexanenitrile
CID 13225791
4-methoxy-3-methylpent-2-enenitrile
CID 104865205
(1-cyano-2-methylpropyl) benzenesulfonate
CID 121218806
hydron;bis(2-methylpropanenitrile)
CID 174938927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-methylbutanenitrile?
The IUPAC name of (2S)-2-methoxy-3-methylbutanenitrile (CID 97030930) is (2S)-2-methoxy-3-methylbutanenitrile.
What is the SMILES notation for (2S)-2-methoxy-3-methylbutanenitrile?
The canonical SMILES for (2S)-2-methoxy-3-methylbutanenitrile is CO[C@H](C#N)C(C)C.
What is the InChIKey of (2S)-2-methoxy-3-methylbutanenitrile?
The InChIKey is GCSRYTQWKGSJBT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)6(4-7)8-3/h5-6H,1-3H3/t6-/m1/s1.
What are the key properties of (2S)-2-methoxy-3-methylbutanenitrile?
(2S)-2-methoxy-3-methylbutanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-methylbutanenitrile is sourced from PubChem (CID 97030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).