CID 59269074

C10H12O2 — CID 59269074

IUPAC—
SMILES[CH]CC1COC(C#C)(C=C)OC1
InChIInChI=1S/C10H12O2/c1-4-9-7-11-10(5-2,6-3)12-8-9/h1-2,6,9H,3-4,7-8H2
InChIKeyQCEJHNMBURHAGO-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.27
Rot. Bonds2

About CID 59269074

CID 59269074 (PubChem CID 59269074) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol.

Molecular Properties

Compound NameCID 59269074
PubChem CID59269074
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name—
SMILES[CH]CC1COC(C#C)(C=C)OC1
InChIInChI=1S/C10H12O2/c1-4-9-7-11-10(5-2,6-3)12-8-9/h1-2,6,9H,3-4,7-8H2
InChIKeyQCEJHNMBURHAGO-UHFFFAOYSA-N
XLogP1.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.27
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 59269074?
The IUPAC name of CID 59269074 (CID 59269074) is not available.
What is the SMILES notation for CID 59269074?
The canonical SMILES for CID 59269074 is [CH]CC1COC(C#C)(C=C)OC1.
What is the InChIKey of CID 59269074?
The InChIKey is QCEJHNMBURHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-9-7-11-10(5-2,6-3)12-8-9/h1-2,6,9H,3-4,7-8H2.
What are the key properties of CID 59269074?
CID 59269074 has a molecular weight of 164.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269074 is sourced from PubChem (CID 59269074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).