dec-2-en-4,6-diyne-1,8-diol

C10H12O2 — CID 86103207

IUPACdec-2-en-4,6-diyne-1,8-diol
SMILESCCC(O)C#CC#CC=CCO
InChIInChI=1S/C10H12O2/c1-2-10(12)8-6-4-3-5-7-9-11/h5,7,10-12H,2,9H2,1H3
InChIKeyQFBMIOGKDCDLDH-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.31
Rot. Bonds2

About dec-2-en-4,6-diyne-1,8-diol

dec-2-en-4,6-diyne-1,8-diol (PubChem CID 86103207) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is dec-2-en-4,6-diyne-1,8-diol.

Molecular Properties

Compound Namedec-2-en-4,6-diyne-1,8-diol
PubChem CID86103207
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namedec-2-en-4,6-diyne-1,8-diol
SMILESCCC(O)C#CC#CC=CCO
InChIInChI=1S/C10H12O2/c1-2-10(12)8-6-4-3-5-7-9-11/h5,7,10-12H,2,9H2,1H3
InChIKeyQFBMIOGKDCDLDH-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 dec-2-en-4,6-diyne-1,8-diol?
The IUPAC name of dec-2-en-4,6-diyne-1,8-diol (CID 86103207) is dec-2-en-4,6-diyne-1,8-diol.
What is the SMILES notation for dec-2-en-4,6-diyne-1,8-diol?
The canonical SMILES for dec-2-en-4,6-diyne-1,8-diol is CCC(O)C#CC#CC=CCO.
What is the InChIKey of dec-2-en-4,6-diyne-1,8-diol?
The InChIKey is QFBMIOGKDCDLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-10(12)8-6-4-3-5-7-9-11/h5,7,10-12H,2,9H2,1H3.
What are the key properties of dec-2-en-4,6-diyne-1,8-diol?
dec-2-en-4,6-diyne-1,8-diol has a molecular weight of 164.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-en-4,6-diyne-1,8-diol is sourced from PubChem (CID 86103207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).