8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile

C19H34N2O — CID 155671720

IUPAC8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile
SMILESCC(C)(C#N)CCCCCC(O)CCCCCC(C)(C)C#N
InChIInChI=1S/C19H34N2O/c1-18(2,15-20)13-9-5-7-11-17(22)12-8-6-10-14-19(3,4)16-21/h17,22H,5-14H2,1-4H3
InChIKeyJQBOGCZVQIAXST-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.35
Rot. Bonds12

About 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile

8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile (PubChem CID 155671720) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile.

Molecular Properties

Compound Name8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile
PubChem CID155671720
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile
SMILESCC(C)(C#N)CCCCCC(O)CCCCCC(C)(C)C#N
InChIInChI=1S/C19H34N2O/c1-18(2,15-20)13-9-5-7-11-17(22)12-8-6-10-14-19(3,4)16-21/h17,22H,5-14H2,1-4H3
InChIKeyJQBOGCZVQIAXST-UHFFFAOYSA-N
XLogP5.35
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile?
The IUPAC name of 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile (CID 155671720) is 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile.
What is the SMILES notation for 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile?
The canonical SMILES for 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile is CC(C)(C#N)CCCCCC(O)CCCCCC(C)(C)C#N.
What is the InChIKey of 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile?
The InChIKey is JQBOGCZVQIAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-18(2,15-20)13-9-5-7-11-17(22)12-8-6-10-14-19(3,4)16-21/h17,22H,5-14H2,1-4H3.
What are the key properties of 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile?
8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile has a molecular weight of 306.49 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,2,14,14-tetramethylpentadecanedinitrile is sourced from PubChem (CID 155671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).