deca-2,8-dien-4,6-diyne-1,10-diol

C10H10O2 — CID 71318082

IUPACdeca-2,8-dien-4,6-diyne-1,10-diol
SMILESOCC=CC#CC#CC=CCO
InChIInChI=1S/C10H10O2/c11-9-7-5-3-1-2-4-6-8-10-12/h5-8,11-12H,9-10H2
InChIKeyVUBHWNWEHZFTFD-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.09
Rot. Bonds2

About deca-2,8-dien-4,6-diyne-1,10-diol

deca-2,8-dien-4,6-diyne-1,10-diol (PubChem CID 71318082) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is deca-2,8-dien-4,6-diyne-1,10-diol.

Molecular Properties

Compound Namedeca-2,8-dien-4,6-diyne-1,10-diol
PubChem CID71318082
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namedeca-2,8-dien-4,6-diyne-1,10-diol
SMILESOCC=CC#CC#CC=CCO
InChIInChI=1S/C10H10O2/c11-9-7-5-3-1-2-4-6-8-10-12/h5-8,11-12H,9-10H2
InChIKeyVUBHWNWEHZFTFD-UHFFFAOYSA-N
XLogP0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.09
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 deca-2,8-dien-4,6-diyne-1,10-diol?
The IUPAC name of deca-2,8-dien-4,6-diyne-1,10-diol (CID 71318082) is deca-2,8-dien-4,6-diyne-1,10-diol.
What is the SMILES notation for deca-2,8-dien-4,6-diyne-1,10-diol?
The canonical SMILES for deca-2,8-dien-4,6-diyne-1,10-diol is OCC=CC#CC#CC=CCO.
What is the InChIKey of deca-2,8-dien-4,6-diyne-1,10-diol?
The InChIKey is VUBHWNWEHZFTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-7-5-3-1-2-4-6-8-10-12/h5-8,11-12H,9-10H2.
What are the key properties of deca-2,8-dien-4,6-diyne-1,10-diol?
deca-2,8-dien-4,6-diyne-1,10-diol has a molecular weight of 162.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-2,8-dien-4,6-diyne-1,10-diol is sourced from PubChem (CID 71318082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).