CID 135083812

C8H20B4O2Th — CID 135083812

IUPAC—
SMILESCCOCC.CCOCC.[B-].[B-].[B-].[B-].[Th+4]
InChIInChI=1S/2C4H10O.4B.Th/c2*1-3-5-4-2;;;;;/h2*3-4H2,1-2H3;;;;;/q;;4*-1;+4
InChIKeyQWXBRGDMEZMISZ-UHFFFAOYSA-N
MW423.53 g/mol
LogP0.56
Rot. Bonds4

About CID 135083812

CID 135083812 (PubChem CID 135083812) has the molecular formula C8H20B4O2Th and a molecular weight of 423.53 g/mol.

Molecular Properties

Compound NameCID 135083812
PubChem CID135083812
Molecular FormulaC8H20B4O2Th
Molecular Weight423.53 g/mol
Exact Mass424.22
IUPAC Name—
SMILESCCOCC.CCOCC.[B-].[B-].[B-].[B-].[Th+4]
InChIInChI=1S/2C4H10O.4B.Th/c2*1-3-5-4-2;;;;;/h2*3-4H2,1-2H3;;;;;/q;;4*-1;+4
InChIKeyQWXBRGDMEZMISZ-UHFFFAOYSA-N
XLogP0.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
aluminum;ethoxyethane;triiodide
CID 173390625
strontium;ethoxyethane;hydride
CID 174808757
ethoxyethane;molecular nitrogen
CID 86758381
lithium;ethoxyethane;chloride
CID 175344978

Frequently Asked Questions

What is the IUPAC name of CID 135083812?
The IUPAC name of CID 135083812 (CID 135083812) is not available.
What is the SMILES notation for CID 135083812?
The canonical SMILES for CID 135083812 is CCOCC.CCOCC.[B-].[B-].[B-].[B-].[Th+4].
What is the InChIKey of CID 135083812?
The InChIKey is QWXBRGDMEZMISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.4B.Th/c2*1-3-5-4-2;;;;;/h2*3-4H2,1-2H3;;;;;/q;;4*-1;+4.
What are the key properties of CID 135083812?
CID 135083812 has a molecular weight of 423.53 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135083812 is sourced from PubChem (CID 135083812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).