CID 59269060

C10H12O2 — CID 59269060

IUPAC—
SMILES[CH]CCC1COC(C#C)(C=C)O1
InChIInChI=1S/C10H12O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1-2,6,9H,3-4,7-8H2
InChIKeyMOENJHAESAGUBT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.41
Rot. Bonds3

About CID 59269060

CID 59269060 (PubChem CID 59269060) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol.

Molecular Properties

Compound NameCID 59269060
PubChem CID59269060
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name—
SMILES[CH]CCC1COC(C#C)(C=C)O1
InChIInChI=1S/C10H12O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1-2,6,9H,3-4,7-8H2
InChIKeyMOENJHAESAGUBT-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.41
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 59269060?
The IUPAC name of CID 59269060 (CID 59269060) is not available.
What is the SMILES notation for CID 59269060?
The canonical SMILES for CID 59269060 is [CH]CCC1COC(C#C)(C=C)O1.
What is the InChIKey of CID 59269060?
The InChIKey is MOENJHAESAGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1-2,6,9H,3-4,7-8H2.
What are the key properties of CID 59269060?
CID 59269060 has a molecular weight of 164.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269060 is sourced from PubChem (CID 59269060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).