CID 59269426

C9H12O2 — CID 59269426

IUPAC—
SMILES[CH]CC1COC(C=C)(C=C)O1
InChIInChI=1S/C9H12O2/c1-4-8-7-10-9(5-2,6-3)11-8/h1,5-6,8H,2-4,7H2
InChIKeyOUSQMNPCPGHYGE-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.57
Rot. Bonds3

About CID 59269426

CID 59269426 (PubChem CID 59269426) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol.

Molecular Properties

Compound NameCID 59269426
PubChem CID59269426
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name—
SMILES[CH]CC1COC(C=C)(C=C)O1
InChIInChI=1S/C9H12O2/c1-4-8-7-10-9(5-2,6-3)11-8/h1,5-6,8H,2-4,7H2
InChIKeyOUSQMNPCPGHYGE-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269426?
The IUPAC name of CID 59269426 (CID 59269426) is not available.
What is the SMILES notation for CID 59269426?
The canonical SMILES for CID 59269426 is [CH]CC1COC(C=C)(C=C)O1.
What is the InChIKey of CID 59269426?
The InChIKey is OUSQMNPCPGHYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-8-7-10-9(5-2,6-3)11-8/h1,5-6,8H,2-4,7H2.
What are the key properties of CID 59269426?
CID 59269426 has a molecular weight of 152.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269426 is sourced from PubChem (CID 59269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).