(2S,3R)-3-hydroxy-2-methyldecanenitrile

C11H21NO — CID 50900060

IUPAC(2S,3R)-3-hydroxy-2-methyldecanenitrile
SMILESCCCCCCC[C@@H](O)[C@@H](C)C#N
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-11(13)10(2)9-12/h10-11,13H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyCGITUHOYXRZHHF-WDEREUQCSA-N
MW183.29 g/mol
LogP2.87
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-methyldecanenitrile

(2S,3R)-3-hydroxy-2-methyldecanenitrile (PubChem CID 50900060) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-methyldecanenitrile.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-methyldecanenitrile
PubChem CID50900060
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S,3R)-3-hydroxy-2-methyldecanenitrile
SMILESCCCCCCC[C@@H](O)[C@@H](C)C#N
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-11(13)10(2)9-12/h10-11,13H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyCGITUHOYXRZHHF-WDEREUQCSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(9R,10R)-9-hydroxy-10-methyloctadecanenitrile
CID 90310037
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
3-methoxy-2-methylundecan-4-ol
CID 116711927
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
pentadecane-4,5-diol
CID 103454846
2-octyldodecanenitrile
CID 87721815
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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-methyldecanenitrile?
The IUPAC name of (2S,3R)-3-hydroxy-2-methyldecanenitrile (CID 50900060) is (2S,3R)-3-hydroxy-2-methyldecanenitrile.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-methyldecanenitrile?
The canonical SMILES for (2S,3R)-3-hydroxy-2-methyldecanenitrile is CCCCCCC[C@@H](O)[C@@H](C)C#N.
What is the InChIKey of (2S,3R)-3-hydroxy-2-methyldecanenitrile?
The InChIKey is CGITUHOYXRZHHF-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-8-11(13)10(2)9-12/h10-11,13H,3-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-methyldecanenitrile?
(2S,3R)-3-hydroxy-2-methyldecanenitrile has a molecular weight of 183.29 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-methyldecanenitrile is sourced from PubChem (CID 50900060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).