(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol

C10H12O3 — CID 131237107

IUPAC(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol
SMILESOC/C=C/C#CC#C[C@H](O)CCO
InChIInChI=1S/C10H12O3/c11-8-5-3-1-2-4-6-10(13)7-9-12/h3,5,10-13H,7-9H2/b5-3+/t10-/m0/s1
InChIKeyPMUZCSDPAFASTR-GFAPAMAISA-N
MW180.20 g/mol
LogP-0.71
Rot. Bonds3

About (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol

(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol (PubChem CID 131237107) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol.

Molecular Properties

Compound Name(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol
PubChem CID131237107
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol
SMILESOC/C=C/C#CC#C[C@H](O)CCO
InChIInChI=1S/C10H12O3/c11-8-5-3-1-2-4-6-10(13)7-9-12/h3,5,10-13H,7-9H2/b5-3+/t10-/m0/s1
InChIKeyPMUZCSDPAFASTR-GFAPAMAISA-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,3R)-dec-8-en-4,6-diyne-1,3,10-triol?
The IUPAC name of (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol (CID 131237107) is (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol.
What is the SMILES notation for (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol?
The canonical SMILES for (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol is OC/C=C/C#CC#C[C@H](O)CCO.
What is the InChIKey of (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol?
The InChIKey is PMUZCSDPAFASTR-GFAPAMAISA-N. The full InChI is InChI=1S/C10H12O3/c11-8-5-3-1-2-4-6-10(13)7-9-12/h3,5,10-13H,7-9H2/b5-3+/t10-/m0/s1.
What are the key properties of (E,3R)-dec-8-en-4,6-diyne-1,3,10-triol?
(E,3R)-dec-8-en-4,6-diyne-1,3,10-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,3R)-dec-8-en-4,6-diyne-1,3,10-triol is sourced from PubChem (CID 131237107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).