propoxy(dipropyl)borane

C9H21BO — CID 12507440

IUPACpropoxy(dipropyl)borane
SMILESCCCOB(CCC)CCC
InChIInChI=1S/C9H21BO/c1-4-7-10(8-5-2)11-9-6-3/h4-9H2,1-3H3
InChIKeyDYVLEIJQPVCHKW-UHFFFAOYSA-N
MW156.08 g/mol
LogP3.22
Rot. Bonds7

About propoxy(dipropyl)borane

propoxy(dipropyl)borane (PubChem CID 12507440) has the molecular formula C9H21BO and a molecular weight of 156.08 g/mol. Its IUPAC name is propoxy(dipropyl)borane.

Molecular Properties

Compound Namepropoxy(dipropyl)borane
PubChem CID12507440
Molecular FormulaC9H21BO
Molecular Weight156.08 g/mol
Exact Mass156.17
IUPAC Namepropoxy(dipropyl)borane
SMILESCCCOB(CCC)CCC
InChIInChI=1S/C9H21BO/c1-4-7-10(8-5-2)11-9-6-3/h4-9H2,1-3H3
InChIKeyDYVLEIJQPVCHKW-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tributyl borate
CID 12712
Boric acid (H3BO3), tripropyl ester
CID 12711
Bis(propan-2-yl) butylboronate
CID 3775344
Tributyl borate-10B
CID 16212785
Borinic acid, dibutyl-, methyl ester
CID 5326104
Borinic acid, diethyl-, 1-methylethyl ester
CID 5326209
Bis(2,2-dimethylpropyl) ethylboronate
CID 551283
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Ethaneboronic acid dibutyl ester
CID 12421680
Butyl diethylborinate
CID 12434719
Boronic acid, (1-methylpropyl)-, bis(1-methylethyl) ester
CID 13183021

Frequently Asked Questions

What is the IUPAC name of propoxy(dipropyl)borane?
The IUPAC name of propoxy(dipropyl)borane (CID 12507440) is propoxy(dipropyl)borane.
What is the SMILES notation for propoxy(dipropyl)borane?
The canonical SMILES for propoxy(dipropyl)borane is CCCOB(CCC)CCC.
What is the InChIKey of propoxy(dipropyl)borane?
The InChIKey is DYVLEIJQPVCHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO/c1-4-7-10(8-5-2)11-9-6-3/h4-9H2,1-3H3.
What are the key properties of propoxy(dipropyl)borane?
propoxy(dipropyl)borane has a molecular weight of 156.08 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propoxy(dipropyl)borane is sourced from PubChem (CID 12507440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).