boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)

C15H35BO5 — CID 175481172

IUPACboric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.CC(C)(O)C(C)(C)O.OB(O)O
InChIInChI=1S/C6H14O2.3C3H6.BH3O3/c1-5(2,7)6(3,4)8;3*1-3-2;2-1(3)4/h7-8H,1-4H3;3*3H,1H2,2H3;2-4H
InChIKeyWDYVPGBDCIPFRX-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.05
Rot. Bonds1

About boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)

boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene) (PubChem CID 175481172) has the molecular formula C15H35BO5 and a molecular weight of 306.25 g/mol. Its IUPAC name is boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene).

Molecular Properties

Compound Nameboric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)
PubChem CID175481172
Molecular FormulaC15H35BO5
Molecular Weight306.25 g/mol
Exact Mass306.26
IUPAC Nameboric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.CC(C)(O)C(C)(C)O.OB(O)O
InChIInChI=1S/C6H14O2.3C3H6.BH3O3/c1-5(2,7)6(3,4)8;3*1-3-2;2-1(3)4/h7-8H,1-4H3;3*3H,1H2,2H3;2-4H
InChIKeyWDYVPGBDCIPFRX-UHFFFAOYSA-N
XLogP2.05
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

boric acid;bis(2,3-dimethylbutane-2,3-diol)
CID 87113671
2,3-dimethylbutane-2,3-diol;methylboronic acid
CID 86587082
2,3-dimethylbutane-2,3-diol;hydrobromide
CID 175354079
boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene
CID 175435744
prop-1-ene
CID 162178440
ethane;prop-1-ene;2,2,3,3-tetramethylbutane
CID 153390024
2,3-dimethylbutane-2,3-diol;formic acid
CID 57352201
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
azane;tris(prop-1-ene)
CID 162019717
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 173323353

Frequently Asked Questions

What is the IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)?
The IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene) (CID 175481172) is boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene).
What is the SMILES notation for boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)?
The canonical SMILES for boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene) is C=CC.C=CC.C=CC.CC(C)(O)C(C)(C)O.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)?
The InChIKey is WDYVPGBDCIPFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.3C3H6.BH3O3/c1-5(2,7)6(3,4)8;3*1-3-2;2-1(3)4/h7-8H,1-4H3;3*3H,1H2,2H3;2-4H.
What are the key properties of boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene)?
boric acid;2,3-dimethylbutane-2,3-diol;tris(prop-1-ene) has a molecular weight of 306.25 g/mol, XLogP of 2.05, 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;tris(prop-1-ene) is sourced from PubChem (CID 175481172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).