3-dimethylboranylpropan-1-ol

C5H13BO — CID 123154610

IUPAC3-dimethylboranylpropan-1-ol
SMILESCB(C)CCCO
InChIInChI=1S/C5H13BO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
InChIKeyGSYUNVAIMIXBIZ-UHFFFAOYSA-N
MW99.97 g/mol
LogP1.12
Rot. Bonds3

About 3-dimethylboranylpropan-1-ol

3-dimethylboranylpropan-1-ol (PubChem CID 123154610) has the molecular formula C5H13BO and a molecular weight of 99.97 g/mol. Its IUPAC name is 3-dimethylboranylpropan-1-ol.

Molecular Properties

Compound Name3-dimethylboranylpropan-1-ol
PubChem CID123154610
Molecular FormulaC5H13BO
Molecular Weight99.97 g/mol
Exact Mass100.11
IUPAC Name3-dimethylboranylpropan-1-ol
SMILESCB(C)CCCO
InChIInChI=1S/C5H13BO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
InChIKeyGSYUNVAIMIXBIZ-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.97
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(3-hydroxypropyl)boranyl]propan-1-ol
CID 134873165
5-dimethylboranylpentylphosphane
CID 59037060
CID 131878919
CID 131878919
boric acid;tris(butan-1-ol)
CID 172752185
tricosane-1,23-diol
CID 25144332
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
CID 157146691
CID 157146691
butane-1,4-diol;zinc
CID 170696072
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 3-dimethylboranylpropan-1-ol?
The IUPAC name of 3-dimethylboranylpropan-1-ol (CID 123154610) is 3-dimethylboranylpropan-1-ol.
What is the SMILES notation for 3-dimethylboranylpropan-1-ol?
The canonical SMILES for 3-dimethylboranylpropan-1-ol is CB(C)CCCO.
What is the InChIKey of 3-dimethylboranylpropan-1-ol?
The InChIKey is GSYUNVAIMIXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3.
What are the key properties of 3-dimethylboranylpropan-1-ol?
3-dimethylboranylpropan-1-ol has a molecular weight of 99.97 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylboranylpropan-1-ol is sourced from PubChem (CID 123154610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).