butyl-ethoxy-propan-2-yloxyborane

C9H21BO2 — CID 20654637

IUPACbutyl-ethoxy-propan-2-yloxyborane
SMILESCCCCB(OCC)OC(C)C
InChIInChI=1S/C9H21BO2/c1-5-7-8-10(11-6-2)12-9(3)4/h9H,5-8H2,1-4H3
InChIKeyFPZCOHUYBKYVSC-UHFFFAOYSA-N
MW172.08 g/mol
LogP2.74
Rot. Bonds7

About butyl-ethoxy-propan-2-yloxyborane

butyl-ethoxy-propan-2-yloxyborane (PubChem CID 20654637) has the molecular formula C9H21BO2 and a molecular weight of 172.08 g/mol. Its IUPAC name is butyl-ethoxy-propan-2-yloxyborane.

Molecular Properties

Compound Namebutyl-ethoxy-propan-2-yloxyborane
PubChem CID20654637
Molecular FormulaC9H21BO2
Molecular Weight172.08 g/mol
Exact Mass172.16
IUPAC Namebutyl-ethoxy-propan-2-yloxyborane
SMILESCCCCB(OCC)OC(C)C
InChIInChI=1S/C9H21BO2/c1-5-7-8-10(11-6-2)12-9(3)4/h9H,5-8H2,1-4H3
InChIKeyFPZCOHUYBKYVSC-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl-ethoxy-propan-2-yloxyborane 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

butyl-di(propan-2-yloxy)borane
CID 3775344
butyl(diethoxy)borane
CID 529038
hexyl-di(propan-2-yloxy)borane
CID 13183257
butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane
CID 11052896
ethoxy-methyl-propan-2-yloxyborane
CID 20654638
hexan-2-yl-di(propan-2-yloxy)borane
CID 57174068
ethoxyethane;hexane;2-propan-2-yloxypropane
CID 87119579
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
butane-2,3-diol;1-butoxybutane
CID 87169993

Frequently Asked Questions

What is the IUPAC name of butyl-ethoxy-propan-2-yloxyborane?
The IUPAC name of butyl-ethoxy-propan-2-yloxyborane (CID 20654637) is butyl-ethoxy-propan-2-yloxyborane.
What is the SMILES notation for butyl-ethoxy-propan-2-yloxyborane?
The canonical SMILES for butyl-ethoxy-propan-2-yloxyborane is CCCCB(OCC)OC(C)C.
What is the InChIKey of butyl-ethoxy-propan-2-yloxyborane?
The InChIKey is FPZCOHUYBKYVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO2/c1-5-7-8-10(11-6-2)12-9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of butyl-ethoxy-propan-2-yloxyborane?
butyl-ethoxy-propan-2-yloxyborane has a molecular weight of 172.08 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethoxy-propan-2-yloxyborane is sourced from PubChem (CID 20654637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).