(Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol

C24H40O2 — CID 162857899

IUPAC(Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol
SMILESCC(C)CCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO
InChIInChI=1S/C24H40O2/c1-23(2)19-15-12-10-8-6-4-3-5-7-9-11-13-16-20-24(26)21-17-14-18-22-25/h6,8,23-26H,3-5,7,9-13,15-16,19-20,22H2,1-2H3/b8-6-/t24-/m1/s1
InChIKeyXHLZCKOMBOQHNF-XTGFCRJSSA-N
MW360.58 g/mol
LogP5.63
Rot. Bonds15

About (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol

(Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol (PubChem CID 162857899) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol.

Molecular Properties

Compound Name(Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol
PubChem CID162857899
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name(Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol
SMILESCC(C)CCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO
InChIInChI=1S/C24H40O2/c1-23(2)19-15-12-10-8-6-4-3-5-7-9-11-13-16-20-24(26)21-17-14-18-22-25/h6,8,23-26H,3-5,7,9-13,15-16,19-20,22H2,1-2H3/b8-6-/t24-/m1/s1
InChIKeyXHLZCKOMBOQHNF-XTGFCRJSSA-N
XLogP5.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 55.63
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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Frequently Asked Questions

What is the IUPAC name of (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol?
The IUPAC name of (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol (CID 162857899) is (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol.
What is the SMILES notation for (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol?
The canonical SMILES for (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol is CC(C)CCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO.
What is the InChIKey of (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol?
The InChIKey is XHLZCKOMBOQHNF-XTGFCRJSSA-N. The full InChI is InChI=1S/C24H40O2/c1-23(2)19-15-12-10-8-6-4-3-5-7-9-11-13-16-20-24(26)21-17-14-18-22-25/h6,8,23-26H,3-5,7,9-13,15-16,19-20,22H2,1-2H3/b8-6-/t24-/m1/s1.
What are the key properties of (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol?
(Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol has a molecular weight of 360.58 g/mol, XLogP of 5.63, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-22-methyltricos-16-en-2,4-diyne-1,6-diol is sourced from PubChem (CID 162857899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).