CID 146164592

C8H15O4 — CID 146164592

IUPAC—
SMILESCOC(=O)[CH]COOC(C)(C)C
InChIInChI=1S/C8H15O4/c1-8(2,3)12-11-6-5-7(9)10-4/h5H,6H2,1-4H3
InChIKeyPXZIOYGGJSDILI-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.11
Rot. Bonds4

About CID 146164592

CID 146164592 (PubChem CID 146164592) has the molecular formula C8H15O4 and a molecular weight of 175.20 g/mol.

Molecular Properties

Compound NameCID 146164592
PubChem CID146164592
Molecular FormulaC8H15O4
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name—
SMILESCOC(=O)[CH]COOC(C)(C)C
InChIInChI=1S/C8H15O4/c1-8(2,3)12-11-6-5-7(9)10-4/h5H,6H2,1-4H3
InChIKeyPXZIOYGGJSDILI-UHFFFAOYSA-N
XLogP1.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 146164592?
The IUPAC name of CID 146164592 (CID 146164592) is not available.
What is the SMILES notation for CID 146164592?
The canonical SMILES for CID 146164592 is COC(=O)[CH]COOC(C)(C)C.
What is the InChIKey of CID 146164592?
The InChIKey is PXZIOYGGJSDILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4/c1-8(2,3)12-11-6-5-7(9)10-4/h5H,6H2,1-4H3.
What are the key properties of CID 146164592?
CID 146164592 has a molecular weight of 175.20 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146164592 is sourced from PubChem (CID 146164592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).