(E,2S)-dec-8-en-4,6-diyne-1,2,10-triol

C10H12O3 — CID 102201558

IUPAC(E,2S)-dec-8-en-4,6-diyne-1,2,10-triol
SMILESOC/C=C/C#CC#CC[C@H](O)CO
InChIInChI=1S/C10H12O3/c11-8-6-4-2-1-3-5-7-10(13)9-12/h4,6,10-13H,7-9H2/b6-4+/t10-/m0/s1
InChIKeyOBLUVUJNAGOBPQ-RWCYGVJQSA-N
MW180.20 g/mol
LogP-0.71
Rot. Bonds3

About (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol

(E,2S)-dec-8-en-4,6-diyne-1,2,10-triol (PubChem CID 102201558) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol.

Molecular Properties

Compound Name(E,2S)-dec-8-en-4,6-diyne-1,2,10-triol
PubChem CID102201558
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(E,2S)-dec-8-en-4,6-diyne-1,2,10-triol
SMILESOC/C=C/C#CC#CC[C@H](O)CO
InChIInChI=1S/C10H12O3/c11-8-6-4-2-1-3-5-7-10(13)9-12/h4,6,10-13H,7-9H2/b6-4+/t10-/m0/s1
InChIKeyOBLUVUJNAGOBPQ-RWCYGVJQSA-N
XLogP-0.71
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol?
The IUPAC name of (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol (CID 102201558) is (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol.
What is the SMILES notation for (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol?
The canonical SMILES for (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol is OC/C=C/C#CC#CC[C@H](O)CO.
What is the InChIKey of (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol?
The InChIKey is OBLUVUJNAGOBPQ-RWCYGVJQSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-6-4-2-1-3-5-7-10(13)9-12/h4,6,10-13H,7-9H2/b6-4+/t10-/m0/s1.
What are the key properties of (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol?
(E,2S)-dec-8-en-4,6-diyne-1,2,10-triol has a molecular weight of 180.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-dec-8-en-4,6-diyne-1,2,10-triol is sourced from PubChem (CID 102201558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).