3-[bis(3-hydroxypropyl)boranyl]propan-1-ol

C9H21BO3 — CID 134873165

IUPAC3-[bis(3-hydroxypropyl)boranyl]propan-1-ol
SMILESOCCCB(CCCO)CCCO
InChIInChI=1S/C9H21BO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h11-13H,1-9H2
InChIKeyBGMSSWNRLPEOKC-UHFFFAOYSA-N
MW188.08 g/mol
LogP0.63
Rot. Bonds9

About 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol

3-[bis(3-hydroxypropyl)boranyl]propan-1-ol (PubChem CID 134873165) has the molecular formula C9H21BO3 and a molecular weight of 188.08 g/mol. Its IUPAC name is 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol.

Molecular Properties

Compound Name3-[bis(3-hydroxypropyl)boranyl]propan-1-ol
PubChem CID134873165
Molecular FormulaC9H21BO3
Molecular Weight188.08 g/mol
Exact Mass188.16
IUPAC Name3-[bis(3-hydroxypropyl)boranyl]propan-1-ol
SMILESOCCCB(CCCO)CCCO
InChIInChI=1S/C9H21BO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h11-13H,1-9H2
InChIKeyBGMSSWNRLPEOKC-UHFFFAOYSA-N
XLogP0.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-dimethylboranylpropan-1-ol
CID 123154610
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tricosane-1,23-diol
CID 25144332
CID 157146691
CID 157146691
butane-1,4-diol;zinc
CID 170696072
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
azane;octakis(butane-1,4-diol)
CID 173377605
CID 158555375
CID 158555375

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol?
The IUPAC name of 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol (CID 134873165) is 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol.
What is the SMILES notation for 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol?
The canonical SMILES for 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol is OCCCB(CCCO)CCCO.
What is the InChIKey of 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol?
The InChIKey is BGMSSWNRLPEOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h11-13H,1-9H2.
What are the key properties of 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol?
3-[bis(3-hydroxypropyl)boranyl]propan-1-ol has a molecular weight of 188.08 g/mol, XLogP of 0.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-hydroxypropyl)boranyl]propan-1-ol is sourced from PubChem (CID 134873165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).