(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol

C10H12O3 — CID 10261702

IUPAC(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol
SMILESC=C[C@@H](O)C#CC#C[C@H](O)CCO
InChIInChI=1S/C10H12O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h2,9-13H,1,7-8H2/t9-,10+/m1/s1
InChIKeyHCTNZAAVSRVKLJ-ZJUUUORDSA-N
MW180.20 g/mol
LogP-0.72
Rot. Bonds3

About (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol

(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol (PubChem CID 10261702) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol.

Molecular Properties

Compound Name(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol
PubChem CID10261702
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol
SMILESC=C[C@@H](O)C#CC#C[C@H](O)CCO
InChIInChI=1S/C10H12O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h2,9-13H,1,7-8H2/t9-,10+/m1/s1
InChIKeyHCTNZAAVSRVKLJ-ZJUUUORDSA-N
XLogP-0.72
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 ≤ 5-0.72
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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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol?
The IUPAC name of (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol (CID 10261702) is (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol.
What is the SMILES notation for (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol?
The canonical SMILES for (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol is C=C[C@@H](O)C#CC#C[C@H](O)CCO.
What is the InChIKey of (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol?
The InChIKey is HCTNZAAVSRVKLJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h2,9-13H,1,7-8H2/t9-,10+/m1/s1.
What are the key properties of (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol?
(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol has a molecular weight of 180.20 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol is sourced from PubChem (CID 10261702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).