CID 175979534

C4H14Cl4O14 — CID 175979534

IUPAC—
SMILESCCCC(O)O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O
InChIInChI=1S/C4H10O2.4ClHO3/c1-2-3-4(5)6;4*2-1(3)4/h4-6H,2-3H2,1H3;4*2H
InChIKeyBGFOGIFOLQETQP-UHFFFAOYSA-N
MW427.95 g/mol
LogP-11.64
Rot. Bonds2

About CID 175979534

CID 175979534 (PubChem CID 175979534) has the molecular formula C4H14Cl4O14 and a molecular weight of 427.95 g/mol.

Molecular Properties

Compound NameCID 175979534
PubChem CID175979534
Molecular FormulaC4H14Cl4O14
Molecular Weight427.95 g/mol
Exact Mass425.91
IUPAC Name—
SMILESCCCC(O)O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O
InChIInChI=1S/C4H10O2.4ClHO3/c1-2-3-4(5)6;4*2-1(3)4/h4-6H,2-3H2,1H3;4*2H
InChIKeyBGFOGIFOLQETQP-UHFFFAOYSA-N
XLogP-11.64
TPSA305.86 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500427.95
LogP ≤ 5-11.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175979534?
The IUPAC name of CID 175979534 (CID 175979534) is not available.
What is the SMILES notation for CID 175979534?
The canonical SMILES for CID 175979534 is CCCC(O)O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.
What is the InChIKey of CID 175979534?
The InChIKey is BGFOGIFOLQETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.4ClHO3/c1-2-3-4(5)6;4*2-1(3)4/h4-6H,2-3H2,1H3;4*2H.
What are the key properties of CID 175979534?
CID 175979534 has a molecular weight of 427.95 g/mol, XLogP of -11.64, 2 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175979534 is sourced from PubChem (CID 175979534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).