2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile

C19H37NO — CID 3268041

IUPAC2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C#N
InChIInChI=1S/C19H37NO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5,21)15-20/h16-18,21H,6-14H2,1-5H3
InChIKeyDRBQMRYLEYMXTH-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.70
Rot. Bonds12

About 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile

2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile (PubChem CID 3268041) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile.

Molecular Properties

Compound Name2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
PubChem CID3268041
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C#N
InChIInChI=1S/C19H37NO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5,21)15-20/h16-18,21H,6-14H2,1-5H3
InChIKeyDRBQMRYLEYMXTH-UHFFFAOYSA-N
XLogP5.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-2,5-dimethylhexanenitrile
CID 71347470
2-hydroxy-2-methylhexanenitrile
CID 10942429
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250
3-ethyl-2,2,3,7,11-pentamethyldodecane
CID 166045645
2,5,9,13-tetramethyltetradecane
CID 58292409
(3R,4R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957304
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
2-hydroxy-2-methylpentanenitrile
CID 10898680
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
3,7-dimethyloctan-1-ol
CID 7792

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile?
The IUPAC name of 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile (CID 3268041) is 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile.
What is the SMILES notation for 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile?
The canonical SMILES for 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C#N.
What is the InChIKey of 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile?
The InChIKey is DRBQMRYLEYMXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5,21)15-20/h16-18,21H,6-14H2,1-5H3.
What are the key properties of 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile?
2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile has a molecular weight of 295.51 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile is sourced from PubChem (CID 3268041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).