CID 58340188

C7H15O2 — CID 58340188

IUPAC—
SMILESCOOC(C)[CH]C(C)C
InChIInChI=1S/C7H15O2/c1-6(2)5-7(3)9-8-4/h5-7H,1-4H3
InChIKeySLROYUGBMRPUMX-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.81
Rot. Bonds4

About CID 58340188

CID 58340188 (PubChem CID 58340188) has the molecular formula C7H15O2 and a molecular weight of 131.19 g/mol.

Molecular Properties

Compound NameCID 58340188
PubChem CID58340188
Molecular FormulaC7H15O2
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name—
SMILESCOOC(C)[CH]C(C)C
InChIInChI=1S/C7H15O2/c1-6(2)5-7(3)9-8-4/h5-7H,1-4H3
InChIKeySLROYUGBMRPUMX-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58340188?
The IUPAC name of CID 58340188 (CID 58340188) is not available.
What is the SMILES notation for CID 58340188?
The canonical SMILES for CID 58340188 is COOC(C)[CH]C(C)C.
What is the InChIKey of CID 58340188?
The InChIKey is SLROYUGBMRPUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2/c1-6(2)5-7(3)9-8-4/h5-7H,1-4H3.
What are the key properties of CID 58340188?
CID 58340188 has a molecular weight of 131.19 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58340188 is sourced from PubChem (CID 58340188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).