dec-1-en-4,6-diyne-1,3,8,10-tetrol

C10H12O4 — CID 163086034

IUPACdec-1-en-4,6-diyne-1,3,8,10-tetrol
SMILESOC=CC(O)C#CC#CC(O)CCO
InChIInChI=1S/C10H12O4/c11-7-5-9(13)3-1-2-4-10(14)6-8-12/h5,7,9-14H,6,8H2
InChIKeyCKUNPXPVCIRLJJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP-0.83
Rot. Bonds3

About dec-1-en-4,6-diyne-1,3,8,10-tetrol

dec-1-en-4,6-diyne-1,3,8,10-tetrol (PubChem CID 163086034) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is dec-1-en-4,6-diyne-1,3,8,10-tetrol.

Molecular Properties

Compound Namedec-1-en-4,6-diyne-1,3,8,10-tetrol
PubChem CID163086034
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namedec-1-en-4,6-diyne-1,3,8,10-tetrol
SMILESOC=CC(O)C#CC#CC(O)CCO
InChIInChI=1S/C10H12O4/c11-7-5-9(13)3-1-2-4-10(14)6-8-12/h5,7,9-14H,6,8H2
InChIKeyCKUNPXPVCIRLJJ-UHFFFAOYSA-N
XLogP-0.83
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-1-en-4,6-diyne-1,3,8,10-tetrol?
The IUPAC name of dec-1-en-4,6-diyne-1,3,8,10-tetrol (CID 163086034) is dec-1-en-4,6-diyne-1,3,8,10-tetrol.
What is the SMILES notation for dec-1-en-4,6-diyne-1,3,8,10-tetrol?
The canonical SMILES for dec-1-en-4,6-diyne-1,3,8,10-tetrol is OC=CC(O)C#CC#CC(O)CCO.
What is the InChIKey of dec-1-en-4,6-diyne-1,3,8,10-tetrol?
The InChIKey is CKUNPXPVCIRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-7-5-9(13)3-1-2-4-10(14)6-8-12/h5,7,9-14H,6,8H2.
What are the key properties of dec-1-en-4,6-diyne-1,3,8,10-tetrol?
dec-1-en-4,6-diyne-1,3,8,10-tetrol has a molecular weight of 196.20 g/mol, XLogP of -0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-en-4,6-diyne-1,3,8,10-tetrol is sourced from PubChem (CID 163086034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).