ethyl(dihexoxy)borane

C14H31BO2 — CID 12007808

IUPACethyl(dihexoxy)borane
SMILESCCCCCCOB(CC)OCCCCCC
InChIInChI=1S/C14H31BO2/c1-4-7-9-11-13-16-15(6-3)17-14-12-10-8-5-2/h4-14H2,1-3H3
InChIKeyXMEMEBVBBAJECT-UHFFFAOYSA-N
MW242.21 g/mol
LogP4.69
Rot. Bonds13

About ethyl(dihexoxy)borane

ethyl(dihexoxy)borane (PubChem CID 12007808) has the molecular formula C14H31BO2 and a molecular weight of 242.21 g/mol. Its IUPAC name is ethyl(dihexoxy)borane.

Molecular Properties

Compound Nameethyl(dihexoxy)borane
PubChem CID12007808
Molecular FormulaC14H31BO2
Molecular Weight242.21 g/mol
Exact Mass242.24
IUPAC Nameethyl(dihexoxy)borane
SMILESCCCCCCOB(CC)OCCCCCC
InChIInChI=1S/C14H31BO2/c1-4-7-9-11-13-16-15(6-3)17-14-12-10-8-5-2/h4-14H2,1-3H3
InChIKeyXMEMEBVBBAJECT-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl(dihexoxy)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

trihexyl borate
CID 21423
nonadecoxyboronic acid
CID 154133434
di(nonoxy)borinic acid
CID 150530087
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
hexoxy-hexyl-methylborane
CID 102060099
decane;ruthenium
CID 160818595
tridecoxyboronic acid;tridodecyl borate
CID 174050200
dodecylmercury;hydrate
CID 78070234
1-decoxydocosane
CID 87077677
1-octylperoxynonane
CID 151564626
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of ethyl(dihexoxy)borane?
The IUPAC name of ethyl(dihexoxy)borane (CID 12007808) is ethyl(dihexoxy)borane.
What is the SMILES notation for ethyl(dihexoxy)borane?
The canonical SMILES for ethyl(dihexoxy)borane is CCCCCCOB(CC)OCCCCCC.
What is the InChIKey of ethyl(dihexoxy)borane?
The InChIKey is XMEMEBVBBAJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BO2/c1-4-7-9-11-13-16-15(6-3)17-14-12-10-8-5-2/h4-14H2,1-3H3.
What are the key properties of ethyl(dihexoxy)borane?
ethyl(dihexoxy)borane has a molecular weight of 242.21 g/mol, XLogP of 4.69, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dihexoxy)borane is sourced from PubChem (CID 12007808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).