dec-5-en-3,7-diyne-2,9-diol

C10H12O2 — CID 85212859

IUPACdec-5-en-3,7-diyne-2,9-diol
SMILESCC(O)C#CC=CC#CC(C)O
InChIInChI=1S/C10H12O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-4,9-12H,1-2H3
InChIKeyNBQYQAFYWHPYCA-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.31
Rot. Bonds

About dec-5-en-3,7-diyne-2,9-diol

dec-5-en-3,7-diyne-2,9-diol (PubChem CID 85212859) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is dec-5-en-3,7-diyne-2,9-diol.

Molecular Properties

Compound Namedec-5-en-3,7-diyne-2,9-diol
PubChem CID85212859
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namedec-5-en-3,7-diyne-2,9-diol
SMILESCC(O)C#CC=CC#CC(C)O
InChIInChI=1S/C10H12O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-4,9-12H,1-2H3
InChIKeyNBQYQAFYWHPYCA-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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-5-en-3,7-diyne-2,9-diol?
The IUPAC name of dec-5-en-3,7-diyne-2,9-diol (CID 85212859) is dec-5-en-3,7-diyne-2,9-diol.
What is the SMILES notation for dec-5-en-3,7-diyne-2,9-diol?
The canonical SMILES for dec-5-en-3,7-diyne-2,9-diol is CC(O)C#CC=CC#CC(C)O.
What is the InChIKey of dec-5-en-3,7-diyne-2,9-diol?
The InChIKey is NBQYQAFYWHPYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-4,9-12H,1-2H3.
What are the key properties of dec-5-en-3,7-diyne-2,9-diol?
dec-5-en-3,7-diyne-2,9-diol has a molecular weight of 164.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-en-3,7-diyne-2,9-diol is sourced from PubChem (CID 85212859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).