boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

C9H23BO7 — CID 175051763

IUPACboric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.OB(O)O
InChIInChI=1S/C9H20O4.BH3O3/c1-7(11)5-12-9(3)6-13-8(2)4-10;2-1(3)4/h7-11H,4-6H2,1-3H3;2-4H
InChIKeyXMNHBKFFDKHGMD-UHFFFAOYSA-N
MW254.09 g/mol
LogP-1.88
Rot. Bonds7

About boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 175051763) has the molecular formula C9H23BO7 and a molecular weight of 254.09 g/mol. Its IUPAC name is boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Nameboric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID175051763
Molecular FormulaC9H23BO7
Molecular Weight254.09 g/mol
Exact Mass254.15
IUPAC Nameboric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.OB(O)O
InChIInChI=1S/C9H20O4.BH3O3/c1-7(11)5-12-9(3)6-13-8(2)4-10;2-1(3)4/h7-11H,4-6H2,1-3H3;2-4H
InChIKeyXMNHBKFFDKHGMD-UHFFFAOYSA-N
XLogP-1.88
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87745303
2-ethoxypropane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 134346005
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774

Frequently Asked Questions

What is the IUPAC name of boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (CID 175051763) is boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is CC(O)COC(C)COC(C)CO.OB(O)O.
What is the InChIKey of boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is XMNHBKFFDKHGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.BH3O3/c1-7(11)5-12-9(3)6-13-8(2)4-10;2-1(3)4/h7-11H,4-6H2,1-3H3;2-4H.
What are the key properties of boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 254.09 g/mol, XLogP of -1.88, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 175051763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).