CID 134970324

C6H6O2 — CID 134970324

IUPAC—
SMILESO=C1[C]C(=O)CCC1
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-3H2
InChIKeyDSPBLEHPJGLKOX-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.39
Rot. Bonds

About CID 134970324

CID 134970324 (PubChem CID 134970324) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol.

Molecular Properties

Compound NameCID 134970324
PubChem CID134970324
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name—
SMILESO=C1[C]C(=O)CCC1
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-3H2
InChIKeyDSPBLEHPJGLKOX-UHFFFAOYSA-N
XLogP0.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134970324?
The IUPAC name of CID 134970324 (CID 134970324) is not available.
What is the SMILES notation for CID 134970324?
The canonical SMILES for CID 134970324 is O=C1[C]C(=O)CCC1.
What is the InChIKey of CID 134970324?
The InChIKey is DSPBLEHPJGLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-3H2.
What are the key properties of CID 134970324?
CID 134970324 has a molecular weight of 110.11 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134970324 is sourced from PubChem (CID 134970324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).