tripropyl borate

C9H21BO3 — CID 12711

IUPACtripropyl borate
SMILESCCCOB(OCCC)OCCC
InChIInChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyLTEHWCSSIHAVOQ-UHFFFAOYSA-N
MW188.08 g/mol
LogP2.25
Rot. Bonds9

About tripropyl borate

tripropyl borate (PubChem CID 12711) has the molecular formula C9H21BO3 and a molecular weight of 188.08 g/mol. Its IUPAC name is tripropyl borate.

Molecular Properties

Compound Nametripropyl borate
PubChem CID12711
Molecular FormulaC9H21BO3
Molecular Weight188.08 g/mol
Exact Mass188.16
IUPAC Nametripropyl borate
SMILESCCCOB(OCCC)OCCC
InChIInChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyLTEHWCSSIHAVOQ-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripropyl borate?
The IUPAC name of tripropyl borate (CID 12711) is tripropyl borate.
What is the SMILES notation for tripropyl borate?
The canonical SMILES for tripropyl borate is CCCOB(OCCC)OCCC.
What is the InChIKey of tripropyl borate?
The InChIKey is LTEHWCSSIHAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of tripropyl borate?
tripropyl borate has a molecular weight of 188.08 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl borate is sourced from PubChem (CID 12711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).