ethoxy(dipentyl)borane

C12H27BO — CID 23268359

IUPACethoxy(dipentyl)borane
SMILESCCCCCB(CCCCC)OCC
InChIInChI=1S/C12H27BO/c1-4-7-9-11-13(14-6-3)12-10-8-5-2/h4-12H2,1-3H3
InChIKeyFNXBQXQHHCFOSU-UHFFFAOYSA-N
MW198.16 g/mol
LogP4.39
Rot. Bonds10

About ethoxy(dipentyl)borane

ethoxy(dipentyl)borane (PubChem CID 23268359) has the molecular formula C12H27BO and a molecular weight of 198.16 g/mol. Its IUPAC name is ethoxy(dipentyl)borane.

Molecular Properties

Compound Nameethoxy(dipentyl)borane
PubChem CID23268359
Molecular FormulaC12H27BO
Molecular Weight198.16 g/mol
Exact Mass198.22
IUPAC Nameethoxy(dipentyl)borane
SMILESCCCCCB(CCCCC)OCC
InChIInChI=1S/C12H27BO/c1-4-7-9-11-13(14-6-3)12-10-8-5-2/h4-12H2,1-3H3
InChIKeyFNXBQXQHHCFOSU-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Boric acid (H3BO3), tripropyl ester
CID 12711
Methyl dihexylborinate
CID 642708
Borinic acid, dibutyl-, methyl ester
CID 5326104
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Ethaneboronic acid dibutyl ester
CID 12421680
Butyl diethylborinate
CID 12434719
Butoxydipropylborane
CID 13227163
Diethyl 2-butylboronate
CID 13278257
Di(butan-2-yl)-methoxyborane
CID 13496110
Dibutyl propylboronate
CID 89593817
Borane, butyl, diethoxy
CID 529038

Frequently Asked Questions

What is the IUPAC name of ethoxy(dipentyl)borane?
The IUPAC name of ethoxy(dipentyl)borane (CID 23268359) is ethoxy(dipentyl)borane.
What is the SMILES notation for ethoxy(dipentyl)borane?
The canonical SMILES for ethoxy(dipentyl)borane is CCCCCB(CCCCC)OCC.
What is the InChIKey of ethoxy(dipentyl)borane?
The InChIKey is FNXBQXQHHCFOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO/c1-4-7-9-11-13(14-6-3)12-10-8-5-2/h4-12H2,1-3H3.
What are the key properties of ethoxy(dipentyl)borane?
ethoxy(dipentyl)borane has a molecular weight of 198.16 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(dipentyl)borane is sourced from PubChem (CID 23268359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).