6-hydroxy-2,2,6-trimethylundecanenitrile

C14H27NO — CID 89123985

IUPAC6-hydroxy-2,2,6-trimethylundecanenitrile
SMILESCCCCCC(C)(O)CCCC(C)(C)C#N
InChIInChI=1S/C14H27NO/c1-5-6-7-10-14(4,16)11-8-9-13(2,3)12-15/h16H,5-11H2,1-4H3
InChIKeyMELBDDWSCOBGCA-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.04
Rot. Bonds8

About 6-hydroxy-2,2,6-trimethylundecanenitrile

6-hydroxy-2,2,6-trimethylundecanenitrile (PubChem CID 89123985) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-hydroxy-2,2,6-trimethylundecanenitrile.

Molecular Properties

Compound Name6-hydroxy-2,2,6-trimethylundecanenitrile
PubChem CID89123985
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name6-hydroxy-2,2,6-trimethylundecanenitrile
SMILESCCCCCC(C)(O)CCCC(C)(C)C#N
InChIInChI=1S/C14H27NO/c1-5-6-7-10-14(4,16)11-8-9-13(2,3)12-15/h16H,5-11H2,1-4H3
InChIKeyMELBDDWSCOBGCA-UHFFFAOYSA-N
XLogP4.04
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,6-trimethylundecanenitrile?
The IUPAC name of 6-hydroxy-2,2,6-trimethylundecanenitrile (CID 89123985) is 6-hydroxy-2,2,6-trimethylundecanenitrile.
What is the SMILES notation for 6-hydroxy-2,2,6-trimethylundecanenitrile?
The canonical SMILES for 6-hydroxy-2,2,6-trimethylundecanenitrile is CCCCCC(C)(O)CCCC(C)(C)C#N.
What is the InChIKey of 6-hydroxy-2,2,6-trimethylundecanenitrile?
The InChIKey is MELBDDWSCOBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-7-10-14(4,16)11-8-9-13(2,3)12-15/h16H,5-11H2,1-4H3.
What are the key properties of 6-hydroxy-2,2,6-trimethylundecanenitrile?
6-hydroxy-2,2,6-trimethylundecanenitrile has a molecular weight of 225.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2,6-trimethylundecanenitrile is sourced from PubChem (CID 89123985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).