CID 59269289

C8H8O2 — CID 59269289

IUPAC—
SMILES[CH]C1COC(C#C)(C=C)O1
InChIInChI=1S/C8H8O2/c1-4-8(5-2)9-6-7(3)10-8/h1,3,5,7H,2,6H2
InChIKeyQUZKZUHALZCJRO-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.63
Rot. Bonds1

About CID 59269289

CID 59269289 (PubChem CID 59269289) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol.

Molecular Properties

Compound NameCID 59269289
PubChem CID59269289
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name—
SMILES[CH]C1COC(C#C)(C=C)O1
InChIInChI=1S/C8H8O2/c1-4-8(5-2)9-6-7(3)10-8/h1,3,5,7H,2,6H2
InChIKeyQUZKZUHALZCJRO-UHFFFAOYSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269289?
The IUPAC name of CID 59269289 (CID 59269289) is not available.
What is the SMILES notation for CID 59269289?
The canonical SMILES for CID 59269289 is [CH]C1COC(C#C)(C=C)O1.
What is the InChIKey of CID 59269289?
The InChIKey is QUZKZUHALZCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-4-8(5-2)9-6-7(3)10-8/h1,3,5,7H,2,6H2.
What are the key properties of CID 59269289?
CID 59269289 has a molecular weight of 136.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269289 is sourced from PubChem (CID 59269289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).