CID 173190602

C6H16ClNO10 — CID 173190602

IUPAC—
SMILESOCCON(OCCO)OCCO.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H15NO6.ClHO4/c8-1-4-11-7(12-5-2-9)13-6-3-10;2-1(3,4)5/h8-10H,1-6H2;(H,2,3,4,5)
InChIKeyWBYCCWVZXVVABY-UHFFFAOYSA-N
MW297.64 g/mol
LogP-6.06
Rot. Bonds9

About CID 173190602

CID 173190602 (PubChem CID 173190602) has the molecular formula C6H16ClNO10 and a molecular weight of 297.64 g/mol.

Molecular Properties

Compound NameCID 173190602
PubChem CID173190602
Molecular FormulaC6H16ClNO10
Molecular Weight297.64 g/mol
Exact Mass297.05
IUPAC Name—
SMILESOCCON(OCCO)OCCO.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H15NO6.ClHO4/c8-1-4-11-7(12-5-2-9)13-6-3-10;2-1(3,4)5/h8-10H,1-6H2;(H,2,3,4,5)
InChIKeyWBYCCWVZXVVABY-UHFFFAOYSA-N
XLogP-6.06
TPSA181.03 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.64
LogP ≤ 5-6.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

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CID 174843406
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2-[ethyl(2-hydroxyethoxy)amino]oxyethanol
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Frequently Asked Questions

What is the IUPAC name of CID 173190602?
The IUPAC name of CID 173190602 (CID 173190602) is not available.
What is the SMILES notation for CID 173190602?
The canonical SMILES for CID 173190602 is OCCON(OCCO)OCCO.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 173190602?
The InChIKey is WBYCCWVZXVVABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6.ClHO4/c8-1-4-11-7(12-5-2-9)13-6-3-10;2-1(3,4)5/h8-10H,1-6H2;(H,2,3,4,5).
What are the key properties of CID 173190602?
CID 173190602 has a molecular weight of 297.64 g/mol, XLogP of -6.06, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190602 is sourced from PubChem (CID 173190602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).