ethyl(dipropoxy)borane

C8H19BO2 — CID 14024414

IUPACethyl(dipropoxy)borane
SMILESCCCOB(CC)OCCC
InChIInChI=1S/C8H19BO2/c1-4-7-10-9(6-3)11-8-5-2/h4-8H2,1-3H3
InChIKeyXOHQBNSJYBPAGG-UHFFFAOYSA-N
MW158.05 g/mol
LogP2.35
Rot. Bonds7

About ethyl(dipropoxy)borane

ethyl(dipropoxy)borane (PubChem CID 14024414) has the molecular formula C8H19BO2 and a molecular weight of 158.05 g/mol. Its IUPAC name is ethyl(dipropoxy)borane.

Molecular Properties

Compound Nameethyl(dipropoxy)borane
PubChem CID14024414
Molecular FormulaC8H19BO2
Molecular Weight158.05 g/mol
Exact Mass158.15
IUPAC Nameethyl(dipropoxy)borane
SMILESCCCOB(CC)OCCC
InChIInChI=1S/C8H19BO2/c1-4-7-10-9(6-3)11-8-5-2/h4-8H2,1-3H3
InChIKeyXOHQBNSJYBPAGG-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 21531
CID 21531
CID 12712
CID 12712
CID 12711
CID 12711
CID 61587
CID 61587
CID 31077
CID 31077
CID 3392711
CID 3392711
CID 3775344
CID 3775344
CID 16212785
CID 16212785
CID 98591
CID 98591
CID 542475
CID 542475
CID 5326104
CID 5326104
CID 551283
CID 551283

Frequently Asked Questions

What is the IUPAC name of ethyl(dipropoxy)borane?
The IUPAC name of ethyl(dipropoxy)borane (CID 14024414) is ethyl(dipropoxy)borane.
What is the SMILES notation for ethyl(dipropoxy)borane?
The canonical SMILES for ethyl(dipropoxy)borane is CCCOB(CC)OCCC.
What is the InChIKey of ethyl(dipropoxy)borane?
The InChIKey is XOHQBNSJYBPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO2/c1-4-7-10-9(6-3)11-8-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl(dipropoxy)borane?
ethyl(dipropoxy)borane has a molecular weight of 158.05 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dipropoxy)borane is sourced from PubChem (CID 14024414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).