(6R)-15-methyltricosa-2,4-diyne-1,6-diol

C24H42O2 — CID 11739975

IUPAC(6R)-15-methyltricosa-2,4-diyne-1,6-diol
SMILESCCCCCCCCC(C)CCCCCCCC[C@@H](O)C#CC#CCO
InChIInChI=1S/C24H42O2/c1-3-4-5-6-9-13-18-23(2)19-14-10-7-8-11-15-20-24(26)21-16-12-17-22-25/h23-26H,3-11,13-15,18-20,22H2,1-2H3/t23?,24-/m1/s1
InChIKeyVJTDCONECWWPIO-XMMISQBUSA-N
MW362.60 g/mol
LogP5.85
Rot. Bonds16

About (6R)-15-methyltricosa-2,4-diyne-1,6-diol

(6R)-15-methyltricosa-2,4-diyne-1,6-diol (PubChem CID 11739975) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is (6R)-15-methyltricosa-2,4-diyne-1,6-diol.

Molecular Properties

Compound Name(6R)-15-methyltricosa-2,4-diyne-1,6-diol
PubChem CID11739975
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name(6R)-15-methyltricosa-2,4-diyne-1,6-diol
SMILESCCCCCCCCC(C)CCCCCCCC[C@@H](O)C#CC#CCO
InChIInChI=1S/C24H42O2/c1-3-4-5-6-9-13-18-23(2)19-14-10-7-8-11-15-20-24(26)21-16-12-17-22-25/h23-26H,3-11,13-15,18-20,22H2,1-2H3/t23?,24-/m1/s1
InChIKeyVJTDCONECWWPIO-XMMISQBUSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.85
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (6R)-15-methyltricosa-2,4-diyne-1,6-diol?
The IUPAC name of (6R)-15-methyltricosa-2,4-diyne-1,6-diol (CID 11739975) is (6R)-15-methyltricosa-2,4-diyne-1,6-diol.
What is the SMILES notation for (6R)-15-methyltricosa-2,4-diyne-1,6-diol?
The canonical SMILES for (6R)-15-methyltricosa-2,4-diyne-1,6-diol is CCCCCCCCC(C)CCCCCCCC[C@@H](O)C#CC#CCO.
What is the InChIKey of (6R)-15-methyltricosa-2,4-diyne-1,6-diol?
The InChIKey is VJTDCONECWWPIO-XMMISQBUSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-4-5-6-9-13-18-23(2)19-14-10-7-8-11-15-20-24(26)21-16-12-17-22-25/h23-26H,3-11,13-15,18-20,22H2,1-2H3/t23?,24-/m1/s1.
What are the key properties of (6R)-15-methyltricosa-2,4-diyne-1,6-diol?
(6R)-15-methyltricosa-2,4-diyne-1,6-diol has a molecular weight of 362.60 g/mol, XLogP of 5.85, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-15-methyltricosa-2,4-diyne-1,6-diol is sourced from PubChem (CID 11739975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).