(2R)-trideca-3,5,10,12-tetrayne-1,2-diol

C13H12O2 — CID 11194987

IUPAC(2R)-trideca-3,5,10,12-tetrayne-1,2-diol
SMILESC#CC#CCCCC#CC#C[C@@H](O)CO
InChIInChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h1,13-15H,5-7,12H2/t13-/m1/s1
InChIKeyCFXPLVLMPUAZMO-CYBMUJFWSA-N
MW200.24 g/mol
LogP0.15
Rot. Bonds3

About (2R)-trideca-3,5,10,12-tetrayne-1,2-diol

(2R)-trideca-3,5,10,12-tetrayne-1,2-diol (PubChem CID 11194987) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-trideca-3,5,10,12-tetrayne-1,2-diol.

Molecular Properties

Compound Name(2R)-trideca-3,5,10,12-tetrayne-1,2-diol
PubChem CID11194987
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2R)-trideca-3,5,10,12-tetrayne-1,2-diol
SMILESC#CC#CCCCC#CC#C[C@@H](O)CO
InChIInChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h1,13-15H,5-7,12H2/t13-/m1/s1
InChIKeyCFXPLVLMPUAZMO-CYBMUJFWSA-N
XLogP0.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.15
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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Related Compounds

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hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol
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Frequently Asked Questions

What is the IUPAC name of (2R)-trideca-3,5,10,12-tetrayne-1,2-diol?
The IUPAC name of (2R)-trideca-3,5,10,12-tetrayne-1,2-diol (CID 11194987) is (2R)-trideca-3,5,10,12-tetrayne-1,2-diol.
What is the SMILES notation for (2R)-trideca-3,5,10,12-tetrayne-1,2-diol?
The canonical SMILES for (2R)-trideca-3,5,10,12-tetrayne-1,2-diol is C#CC#CCCCC#CC#C[C@@H](O)CO.
What is the InChIKey of (2R)-trideca-3,5,10,12-tetrayne-1,2-diol?
The InChIKey is CFXPLVLMPUAZMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h1,13-15H,5-7,12H2/t13-/m1/s1.
What are the key properties of (2R)-trideca-3,5,10,12-tetrayne-1,2-diol?
(2R)-trideca-3,5,10,12-tetrayne-1,2-diol has a molecular weight of 200.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-trideca-3,5,10,12-tetrayne-1,2-diol is sourced from PubChem (CID 11194987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).