butoxy(dibutyl)borane

C12H27BO — CID 11830386

IUPACbutoxy(dibutyl)borane
SMILESCCCCOB(CCCC)CCCC
InChIInChI=1S/C12H27BO/c1-4-7-10-13(11-8-5-2)14-12-9-6-3/h4-12H2,1-3H3
InChIKeyCDMWLOUPOOIPDR-UHFFFAOYSA-N
MW198.16 g/mol
LogP4.39
Rot. Bonds10

About butoxy(dibutyl)borane

butoxy(dibutyl)borane (PubChem CID 11830386) has the molecular formula C12H27BO and a molecular weight of 198.16 g/mol. Its IUPAC name is butoxy(dibutyl)borane.

Molecular Properties

Compound Namebutoxy(dibutyl)borane
PubChem CID11830386
Molecular FormulaC12H27BO
Molecular Weight198.16 g/mol
Exact Mass198.22
IUPAC Namebutoxy(dibutyl)borane
SMILESCCCCOB(CCCC)CCCC
InChIInChI=1S/C12H27BO/c1-4-7-10-13(11-8-5-2)14-12-9-6-3/h4-12H2,1-3H3
InChIKeyCDMWLOUPOOIPDR-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

Tributyl borate
CID 12712
Boric acid (H3BO3), tripropyl ester
CID 12711
Tributyl borate-10B
CID 16212785
Dibutyl iodomethaneboronate
CID 98591
Borinic acid, dibutyl-, methyl ester
CID 5326104
Dibutyl ethynylboronate
CID 21677676
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

Frequently Asked Questions

What is the IUPAC name of butoxy(dibutyl)borane?
The IUPAC name of butoxy(dibutyl)borane (CID 11830386) is butoxy(dibutyl)borane.
What is the SMILES notation for butoxy(dibutyl)borane?
The canonical SMILES for butoxy(dibutyl)borane is CCCCOB(CCCC)CCCC.
What is the InChIKey of butoxy(dibutyl)borane?
The InChIKey is CDMWLOUPOOIPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO/c1-4-7-10-13(11-8-5-2)14-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of butoxy(dibutyl)borane?
butoxy(dibutyl)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 butoxy(dibutyl)borane is sourced from PubChem (CID 11830386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).