(16R)-16-hydroxyicos-14-ynenitrile

C20H35NO — CID 87985240

IUPAC(16R)-16-hydroxyicos-14-ynenitrile
SMILESCCCC[C@@H](O)C#CCCCCCCCCCCCCC#N
InChIInChI=1S/C20H35NO/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h20,22H,2-14,16-17H2,1H3/t20-/m1/s1
InChIKeyWUWNZSQBNUGARA-HXUWFJFHSA-N
MW305.51 g/mol
LogP5.75
Rot. Bonds14

About (16R)-16-hydroxyicos-14-ynenitrile

(16R)-16-hydroxyicos-14-ynenitrile (PubChem CID 87985240) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is (16R)-16-hydroxyicos-14-ynenitrile.

Molecular Properties

Compound Name(16R)-16-hydroxyicos-14-ynenitrile
PubChem CID87985240
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name(16R)-16-hydroxyicos-14-ynenitrile
SMILESCCCC[C@@H](O)C#CCCCCCCCCCCCCC#N
InChIInChI=1S/C20H35NO/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h20,22H,2-14,16-17H2,1H3/t20-/m1/s1
InChIKeyWUWNZSQBNUGARA-HXUWFJFHSA-N
XLogP5.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

icosa-6,15-diyn-5-ol
CID 18710567
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
16-hydroxyicosa-5,14-diyne-1-sulfonic acid
CID 87979554
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
henicos-10-ynenitrile;hydrochloride
CID 142049012
ethyl (17R)-17-hydroxyhenicos-15-ynoate
CID 87948046
ethyl 16-hydroxyicos-14-ynoate
CID 86215717
non-3-yne-1,2-diol
CID 72760493
undecanenitrile
CID 16722
octadecanenitrile
CID 12532

Frequently Asked Questions

What is the IUPAC name of (16R)-16-hydroxyicos-14-ynenitrile?
The IUPAC name of (16R)-16-hydroxyicos-14-ynenitrile (CID 87985240) is (16R)-16-hydroxyicos-14-ynenitrile.
What is the SMILES notation for (16R)-16-hydroxyicos-14-ynenitrile?
The canonical SMILES for (16R)-16-hydroxyicos-14-ynenitrile is CCCC[C@@H](O)C#CCCCCCCCCCCCCC#N.
What is the InChIKey of (16R)-16-hydroxyicos-14-ynenitrile?
The InChIKey is WUWNZSQBNUGARA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h20,22H,2-14,16-17H2,1H3/t20-/m1/s1.
What are the key properties of (16R)-16-hydroxyicos-14-ynenitrile?
(16R)-16-hydroxyicos-14-ynenitrile has a molecular weight of 305.51 g/mol, XLogP of 5.75, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-16-hydroxyicos-14-ynenitrile is sourced from PubChem (CID 87985240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).