(6R)-tricos-16-en-2,4-diyne-1,6-diol

C23H38O2 — CID 162886871

IUPAC(6R)-tricos-16-en-2,4-diyne-1,6-diol
SMILESCCCCCCC=CCCCCCCCCC[C@@H](O)C#CC#CCO
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)21-18-16-19-22-24/h7-8,23-25H,2-6,9-15,17,20,22H2,1H3/t23-/m1/s1
InChIKeyNQDFXJORSBSWCT-HSZRJFAPSA-N
MW346.56 g/mol
LogP5.38
Rot. Bonds15

About (6R)-tricos-16-en-2,4-diyne-1,6-diol

(6R)-tricos-16-en-2,4-diyne-1,6-diol (PubChem CID 162886871) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is (6R)-tricos-16-en-2,4-diyne-1,6-diol.

Molecular Properties

Compound Name(6R)-tricos-16-en-2,4-diyne-1,6-diol
PubChem CID162886871
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name(6R)-tricos-16-en-2,4-diyne-1,6-diol
SMILESCCCCCCC=CCCCCCCCCC[C@@H](O)C#CC#CCO
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)21-18-16-19-22-24/h7-8,23-25H,2-6,9-15,17,20,22H2,1H3/t23-/m1/s1
InChIKeyNQDFXJORSBSWCT-HSZRJFAPSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
pentacos-16-en-2,4-diyne-1,6,7,8-tetrol
CID 78106175
(6R,7E,16Z)-pentacosa-7,16-dien-2,4-diyne-1,6-diol
CID 11245738
heptadec-16-en-4,6-diyn-8-ol
CID 162872076
hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol
CID 72971928
(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol
CID 11179314
heptadeca-4,6-diyne-1,8-diol
CID 175955056
tetratriacont-30-en-2,4,19,33-tetrayne-1,6,32-triol
CID 162856329
(6S)-9-[(1S,2S)-2-dodecylcyclopropyl]nona-2,4-diyne-1,6-diol
CID 162877817
9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol
CID 162877816
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(Z)-hexadec-9-en-7-yn-6-ol
CID 59125733

Frequently Asked Questions

What is the IUPAC name of (6R)-tricos-16-en-2,4-diyne-1,6-diol?
The IUPAC name of (6R)-tricos-16-en-2,4-diyne-1,6-diol (CID 162886871) is (6R)-tricos-16-en-2,4-diyne-1,6-diol.
What is the SMILES notation for (6R)-tricos-16-en-2,4-diyne-1,6-diol?
The canonical SMILES for (6R)-tricos-16-en-2,4-diyne-1,6-diol is CCCCCCC=CCCCCCCCCC[C@@H](O)C#CC#CCO.
What is the InChIKey of (6R)-tricos-16-en-2,4-diyne-1,6-diol?
The InChIKey is NQDFXJORSBSWCT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)21-18-16-19-22-24/h7-8,23-25H,2-6,9-15,17,20,22H2,1H3/t23-/m1/s1.
What are the key properties of (6R)-tricos-16-en-2,4-diyne-1,6-diol?
(6R)-tricos-16-en-2,4-diyne-1,6-diol has a molecular weight of 346.56 g/mol, XLogP of 5.38, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-tricos-16-en-2,4-diyne-1,6-diol is sourced from PubChem (CID 162886871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).