(2R,9R)-deca-4,6-diyne-2,9-diol

C10H14O2 — CID 129384337

IUPAC(2R,9R)-deca-4,6-diyne-2,9-diol
SMILESC[C@@H](O)CC#CC#CC[C@@H](C)O
InChIInChI=1S/C10H14O2/c1-9(11)7-5-3-4-6-8-10(2)12/h9-12H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyUYXWWHBGXDHVNP-NXEZZACHSA-N
MW166.22 g/mol
LogP0.54
Rot. Bonds2

About (2R,9R)-deca-4,6-diyne-2,9-diol

(2R,9R)-deca-4,6-diyne-2,9-diol (PubChem CID 129384337) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R,9R)-deca-4,6-diyne-2,9-diol.

Molecular Properties

Compound Name(2R,9R)-deca-4,6-diyne-2,9-diol
PubChem CID129384337
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2R,9R)-deca-4,6-diyne-2,9-diol
SMILESC[C@@H](O)CC#CC#CC[C@@H](C)O
InChIInChI=1S/C10H14O2/c1-9(11)7-5-3-4-6-8-10(2)12/h9-12H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyUYXWWHBGXDHVNP-NXEZZACHSA-N
XLogP0.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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palladium;bis(pentane-2,4-diol)
CID 58773675
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CID 23506506
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CID 7272443
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Frequently Asked Questions

What is the IUPAC name of (2R,9R)-deca-4,6-diyne-2,9-diol?
The IUPAC name of (2R,9R)-deca-4,6-diyne-2,9-diol (CID 129384337) is (2R,9R)-deca-4,6-diyne-2,9-diol.
What is the SMILES notation for (2R,9R)-deca-4,6-diyne-2,9-diol?
The canonical SMILES for (2R,9R)-deca-4,6-diyne-2,9-diol is C[C@@H](O)CC#CC#CC[C@@H](C)O.
What is the InChIKey of (2R,9R)-deca-4,6-diyne-2,9-diol?
The InChIKey is UYXWWHBGXDHVNP-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(11)7-5-3-4-6-8-10(2)12/h9-12H,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,9R)-deca-4,6-diyne-2,9-diol?
(2R,9R)-deca-4,6-diyne-2,9-diol has a molecular weight of 166.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9R)-deca-4,6-diyne-2,9-diol is sourced from PubChem (CID 129384337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).