(2R)-2-hydroxy-2-methylhex-5-enenitrile

C7H11NO — CID 15073275

IUPAC(2R)-2-hydroxy-2-methylhex-5-enenitrile
SMILESC=CCC[C@@](C)(O)C#N
InChIInChI=1S/C7H11NO/c1-3-4-5-7(2,9)6-8/h3,9H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyRWBKXGLZPKQLRL-SSDOTTSWSA-N
MW125.17 g/mol
LogP1.23
Rot. Bonds3

About (2R)-2-hydroxy-2-methylhex-5-enenitrile

(2R)-2-hydroxy-2-methylhex-5-enenitrile (PubChem CID 15073275) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-methylhex-5-enenitrile.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-methylhex-5-enenitrile
PubChem CID15073275
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2R)-2-hydroxy-2-methylhex-5-enenitrile
SMILESC=CCC[C@@](C)(O)C#N
InChIInChI=1S/C7H11NO/c1-3-4-5-7(2,9)6-8/h3,9H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyRWBKXGLZPKQLRL-SSDOTTSWSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-methylpent-4-enenitrile
CID 96004166
4-Hydroxy-4-methyl-3-methylidenepentanenitrile
CID 134832750
3-Hydroxy-3-methylpent-4-enenitrile
CID 12522362
2-Hydroxy-2-methyl-4-pentenenitrile
CID 12671641
2,5-Dimethyl-2-hydroxy-5-hexenenitrile
CID 20432101
2-Hydroxy-2-methylhex-5-enenitrile
CID 22561336
2-Ethenyl-2-hydroxy-4-methylpentanenitrile
CID 23317072
2-Hydroxy-2-prop-2-enylbutanedinitrile
CID 87184798
2-Hydroxy-2-prop-2-enylpent-4-enenitrile
CID 87932764
2-Ethyl-2-hydroxybut-3-enenitrile
CID 163594361
5-Hydroxy-5-methylhept-6-enenitrile
CID 163829047
2-Hydroxy-2,6-dimethylhept-5-enenitrile
CID 3841307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-methylhex-5-enenitrile?
The IUPAC name of (2R)-2-hydroxy-2-methylhex-5-enenitrile (CID 15073275) is (2R)-2-hydroxy-2-methylhex-5-enenitrile.
What is the SMILES notation for (2R)-2-hydroxy-2-methylhex-5-enenitrile?
The canonical SMILES for (2R)-2-hydroxy-2-methylhex-5-enenitrile is C=CCC[C@@](C)(O)C#N.
What is the InChIKey of (2R)-2-hydroxy-2-methylhex-5-enenitrile?
The InChIKey is RWBKXGLZPKQLRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-5-7(2,9)6-8/h3,9H,1,4-5H2,2H3/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-methylhex-5-enenitrile?
(2R)-2-hydroxy-2-methylhex-5-enenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-methylhex-5-enenitrile is sourced from PubChem (CID 15073275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).