(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol

C10H12O3 — CID 53324164

IUPAC(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol
SMILESC=CC(O)C#CC#C[C@@H](O)[C@H](C)O
InChIInChI=1S/C10H12O3/c1-3-9(12)6-4-5-7-10(13)8(2)11/h3,8-13H,1H2,2H3/t8-,9?,10+/m0/s1
InChIKeyOBFINMGCIXVCBE-DJBFQZMMSA-N
MW180.20 g/mol
LogP-0.72
Rot. Bonds2

About (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol

(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol (PubChem CID 53324164) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol.

Molecular Properties

Compound Name(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol
PubChem CID53324164
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol
SMILESC=CC(O)C#CC#C[C@@H](O)[C@H](C)O
InChIInChI=1S/C10H12O3/c1-3-9(12)6-4-5-7-10(13)8(2)11/h3,8-13H,1H2,2H3/t8-,9?,10+/m0/s1
InChIKeyOBFINMGCIXVCBE-DJBFQZMMSA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dehydrosafynol
CID 5281147
Safynol
CID 6442707
3,11-Tridecadiene-5,7,9-triyne-1,2-diol
CID 6123027
(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 131751993
1,3R,8R-Trihydroxydec-9-En-4,6-Yne
CID 10261702
CID 3036540
CID 3036540
(2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 5281155
(E,2S,3R)-tridec-9-en-4,6-diyne-2,3,8-triol
CID 53317967
8(E)-decene-4,6-diyn-1,2,10-triol
CID 71713234
(E)-dec-8-en-4,6-diyne-1,2,10-triol
CID 102201558
Deca-1,9-dien-4,6-diyne-3,8-diol
CID 10583112
Hept-1-en-4-yn-3-ol
CID 14949724

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol?
The IUPAC name of (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol (CID 53324164) is (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol.
What is the SMILES notation for (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol?
The canonical SMILES for (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol is C=CC(O)C#CC#C[C@@H](O)[C@H](C)O.
What is the InChIKey of (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol?
The InChIKey is OBFINMGCIXVCBE-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-9(12)6-4-5-7-10(13)8(2)11/h3,8-13H,1H2,2H3/t8-,9?,10+/m0/s1.
What are the key properties of (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol?
(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol has a molecular weight of 180.20 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol is sourced from PubChem (CID 53324164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).