butyl(dipropoxy)borane

C10H23BO2 — CID 529039

IUPACbutyl(dipropoxy)borane
SMILESCCCCB(OCCC)OCCC
InChIInChI=1S/C10H23BO2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h4-10H2,1-3H3
InChIKeyDJECWDTWLAHRAC-UHFFFAOYSA-N
MW186.10 g/mol
LogP3.13
Rot. Bonds9

About butyl(dipropoxy)borane

butyl(dipropoxy)borane (PubChem CID 529039) has the molecular formula C10H23BO2 and a molecular weight of 186.10 g/mol. Its IUPAC name is butyl(dipropoxy)borane.

Molecular Properties

Compound Namebutyl(dipropoxy)borane
PubChem CID529039
Molecular FormulaC10H23BO2
Molecular Weight186.10 g/mol
Exact Mass186.18
IUPAC Namebutyl(dipropoxy)borane
SMILESCCCCB(OCCC)OCCC
InChIInChI=1S/C10H23BO2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h4-10H2,1-3H3
InChIKeyDJECWDTWLAHRAC-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl(dipropoxy)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triisopropyl borate
CID 21531
Tributyl borate
CID 12712
Boric acid (H3BO3), tripropyl ester
CID 12711
Triisobutyl borate
CID 61587
Tris(1-methylpropyl) borate
CID 31077
Diisopropoxymethylborane
CID 3392711
Bis(propan-2-yl) butylboronate
CID 3775344
Tributyl borate-10B
CID 16212785
Dibutyl iodomethaneboronate
CID 98591
Diethyl ethylboronate
CID 542475
Borinic acid, dibutyl-, methyl ester
CID 5326104
Bis(2,2-dimethylpropyl) ethylboronate
CID 551283

Frequently Asked Questions

What is the IUPAC name of butyl(dipropoxy)borane?
The IUPAC name of butyl(dipropoxy)borane (CID 529039) is butyl(dipropoxy)borane.
What is the SMILES notation for butyl(dipropoxy)borane?
The canonical SMILES for butyl(dipropoxy)borane is CCCCB(OCCC)OCCC.
What is the InChIKey of butyl(dipropoxy)borane?
The InChIKey is DJECWDTWLAHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h4-10H2,1-3H3.
What are the key properties of butyl(dipropoxy)borane?
butyl(dipropoxy)borane has a molecular weight of 186.10 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dipropoxy)borane is sourced from PubChem (CID 529039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).