CID 162406183

C7H11O3 — CID 162406183

IUPAC—
SMILESCC1(O[O])CCCCC1=O
InChIInChI=1S/C7H11O3/c1-7(10-9)5-3-2-4-6(7)8/h2-5H2,1H3
InChIKeyPUUXQRNIAZNNQO-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.25
Rot. Bonds1

About CID 162406183

CID 162406183 (PubChem CID 162406183) has the molecular formula C7H11O3 and a molecular weight of 143.16 g/mol.

Molecular Properties

Compound NameCID 162406183
PubChem CID162406183
Molecular FormulaC7H11O3
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name—
SMILESCC1(O[O])CCCCC1=O
InChIInChI=1S/C7H11O3/c1-7(10-9)5-3-2-4-6(7)8/h2-5H2,1H3
InChIKeyPUUXQRNIAZNNQO-UHFFFAOYSA-N
XLogP1.25
TPSA46.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.25
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 162406183?
The IUPAC name of CID 162406183 (CID 162406183) is not available.
What is the SMILES notation for CID 162406183?
The canonical SMILES for CID 162406183 is CC1(O[O])CCCCC1=O.
What is the InChIKey of CID 162406183?
The InChIKey is PUUXQRNIAZNNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3/c1-7(10-9)5-3-2-4-6(7)8/h2-5H2,1H3.
What are the key properties of CID 162406183?
CID 162406183 has a molecular weight of 143.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162406183 is sourced from PubChem (CID 162406183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).