ethoxy-methyl-propan-2-yloxyborane

C6H15BO2 — CID 20654638

IUPACethoxy-methyl-propan-2-yloxyborane
SMILESCCOB(C)OC(C)C
InChIInChI=1S/C6H15BO2/c1-5-8-7(4)9-6(2)3/h6H,5H2,1-4H3
InChIKeyMIBKPHDOGJHETN-UHFFFAOYSA-N
MW130.00 g/mol
LogP1.57
Rot. Bonds4

About ethoxy-methyl-propan-2-yloxyborane

ethoxy-methyl-propan-2-yloxyborane (PubChem CID 20654638) has the molecular formula C6H15BO2 and a molecular weight of 130.00 g/mol. Its IUPAC name is ethoxy-methyl-propan-2-yloxyborane.

Molecular Properties

Compound Nameethoxy-methyl-propan-2-yloxyborane
PubChem CID20654638
Molecular FormulaC6H15BO2
Molecular Weight130.00 g/mol
Exact Mass130.12
IUPAC Nameethoxy-methyl-propan-2-yloxyborane
SMILESCCOB(C)OC(C)C
InChIInChI=1S/C6H15BO2/c1-5-8-7(4)9-6(2)3/h6H,5H2,1-4H3
InChIKeyMIBKPHDOGJHETN-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.00
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl-ethoxy-propan-2-yloxyborane
CID 20654637
triethyl borate;hydrate
CID 141236748
butyl-di(propan-2-yloxy)borane
CID 3775344
2-ethoxypropane;zinc
CID 174321747
hexyl-di(propan-2-yloxy)borane
CID 13183257
triethyl borate;bis(trimethylsilane)
CID 175760851
ethoxyethane
CID 18694919
butan-2-yl dimethyl borate
CID 57057381
ethoxyethane
CID 19002445
ethoxyethane;hexane;2-propan-2-yloxypropane
CID 87119579
1,3-diethoxybutan-2-yl(trimethyl)silane
CID 173485775
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-propan-2-yloxyborane?
The IUPAC name of ethoxy-methyl-propan-2-yloxyborane (CID 20654638) is ethoxy-methyl-propan-2-yloxyborane.
What is the SMILES notation for ethoxy-methyl-propan-2-yloxyborane?
The canonical SMILES for ethoxy-methyl-propan-2-yloxyborane is CCOB(C)OC(C)C.
What is the InChIKey of ethoxy-methyl-propan-2-yloxyborane?
The InChIKey is MIBKPHDOGJHETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO2/c1-5-8-7(4)9-6(2)3/h6H,5H2,1-4H3.
What are the key properties of ethoxy-methyl-propan-2-yloxyborane?
ethoxy-methyl-propan-2-yloxyborane has a molecular weight of 130.00 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-propan-2-yloxyborane is sourced from PubChem (CID 20654638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).