CID 160975249

C20H50B2O12 — CID 160975249

IUPAC—
SMILESCOC(C)O.COC(C)O.COC(C)OC.COC(C)OC.[B]OC(C)OC.[B]OC(C)OC
InChIInChI=1S/2C4H10O2.2C3H7BO2.2C3H8O2/c2*1-4(5-2)6-3;2*1-3(5-2)6-4;2*1-3(4)5-2/h2*4H,1-3H3;2*3H,1-2H3;2*3-4H,1-2H3
InChIKeyJOJVJOBSJXJKRL-UHFFFAOYSA-N
MW504.23 g/mol
LogP1.35
Rot. Bonds10

About CID 160975249

CID 160975249 (PubChem CID 160975249) has the molecular formula C20H50B2O12 and a molecular weight of 504.23 g/mol.

Molecular Properties

Compound NameCID 160975249
PubChem CID160975249
Molecular FormulaC20H50B2O12
Molecular Weight504.23 g/mol
Exact Mass504.35
IUPAC Name—
SMILESCOC(C)O.COC(C)O.COC(C)OC.COC(C)OC.[B]OC(C)OC.[B]OC(C)OC
InChIInChI=1S/2C4H10O2.2C3H7BO2.2C3H8O2/c2*1-4(5-2)6-3;2*1-3(5-2)6-4;2*1-3(4)5-2/h2*4H,1-3H3;2*3H,1-2H3;2*3-4H,1-2H3
InChIKeyJOJVJOBSJXJKRL-UHFFFAOYSA-N
XLogP1.35
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 21336188
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lithium;1,1-dimethoxyethane;hydride
CID 174450087
zinc;1,1-dimethoxyethane;dichloride
CID 173213885
1,1-dimethoxyethane;formic acid
CID 174931321
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
1,1-dimethoxyethane;trichloroniobium
CID 19377144
1,1-dimethoxyethane;ethyl acetate;trihydrobromide
CID 173412257
1,1-dimethoxyethane;ethenone
CID 87235267
1,3-dibromopropan-2-one;1,1-dimethoxyethane
CID 87680521

Frequently Asked Questions

What is the IUPAC name of CID 160975249?
The IUPAC name of CID 160975249 (CID 160975249) is not available.
What is the SMILES notation for CID 160975249?
The canonical SMILES for CID 160975249 is COC(C)O.COC(C)O.COC(C)OC.COC(C)OC.[B]OC(C)OC.[B]OC(C)OC.
What is the InChIKey of CID 160975249?
The InChIKey is JOJVJOBSJXJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2.2C3H7BO2.2C3H8O2/c2*1-4(5-2)6-3;2*1-3(5-2)6-4;2*1-3(4)5-2/h2*4H,1-3H3;2*3H,1-2H3;2*3-4H,1-2H3.
What are the key properties of CID 160975249?
CID 160975249 has a molecular weight of 504.23 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160975249 is sourced from PubChem (CID 160975249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).