boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene

C14H27BO5 — CID 158144841

IUPACboric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
SMILESCC(C)(O)C(C)(C)O.Cc1cccc(C)c1.OB(O)O
InChIInChI=1S/C8H10.C6H14O2.BH3O3/c1-7-4-3-5-8(2)6-7;1-5(2,7)6(3,4)8;2-1(3)4/h3-6H,1-2H3;7-8H,1-4H3;2-4H
InChIKeyFUJRFZKAWFSUHL-UHFFFAOYSA-N
MW286.18 g/mol
LogP0.78
Rot. Bonds1

About boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene

boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene (PubChem CID 158144841) has the molecular formula C14H27BO5 and a molecular weight of 286.18 g/mol. Its IUPAC name is boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene.

Molecular Properties

Compound Nameboric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
PubChem CID158144841
Molecular FormulaC14H27BO5
Molecular Weight286.18 g/mol
Exact Mass286.20
IUPAC Nameboric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
SMILESCC(C)(O)C(C)(C)O.Cc1cccc(C)c1.OB(O)O
InChIInChI=1S/C8H10.C6H14O2.BH3O3/c1-7-4-3-5-8(2)6-7;1-5(2,7)6(3,4)8;2-1(3)4/h3-6H,1-2H3;7-8H,1-4H3;2-4H
InChIKeyFUJRFZKAWFSUHL-UHFFFAOYSA-N
XLogP0.78
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methane;1,3-xylene
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CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420
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CID 70361760
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CID 117034561

Frequently Asked Questions

What is the IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene?
The IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene (CID 158144841) is boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene.
What is the SMILES notation for boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene?
The canonical SMILES for boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene is CC(C)(O)C(C)(C)O.Cc1cccc(C)c1.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene?
The InChIKey is FUJRFZKAWFSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H14O2.BH3O3/c1-7-4-3-5-8(2)6-7;1-5(2,7)6(3,4)8;2-1(3)4/h3-6H,1-2H3;7-8H,1-4H3;2-4H.
What are the key properties of boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene?
boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene has a molecular weight of 286.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene is sourced from PubChem (CID 158144841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).