CID 59269383

C9H8O2 — CID 59269383

IUPAC—
SMILES[CH]C1COC(C#C)(C#C)OC1
InChIInChI=1S/C9H8O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1-3,8H,6-7H2
InChIKeyJOTPFOYSYABMNW-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.32
Rot. Bonds

About CID 59269383

CID 59269383 (PubChem CID 59269383) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol.

Molecular Properties

Compound NameCID 59269383
PubChem CID59269383
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name—
SMILES[CH]C1COC(C#C)(C#C)OC1
InChIInChI=1S/C9H8O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1-3,8H,6-7H2
InChIKeyJOTPFOYSYABMNW-UHFFFAOYSA-N
XLogP0.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.32
H-Bond Donors ≤ 50
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 CID 59269383?
The IUPAC name of CID 59269383 (CID 59269383) is not available.
What is the SMILES notation for CID 59269383?
The canonical SMILES for CID 59269383 is [CH]C1COC(C#C)(C#C)OC1.
What is the InChIKey of CID 59269383?
The InChIKey is JOTPFOYSYABMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1-3,8H,6-7H2.
What are the key properties of CID 59269383?
CID 59269383 has a molecular weight of 148.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269383 is sourced from PubChem (CID 59269383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).