ditert-butyl ethyl borate

C10H23BO3 — CID 174586427

IUPACditert-butyl ethyl borate
SMILESCCOB(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C10H23BO3/c1-8-12-11(13-9(2,3)4)14-10(5,6)7/h8H2,1-7H3
InChIKeyKFGGZQJDUPUUQP-UHFFFAOYSA-N
MW202.10 g/mol
LogP2.64
Rot. Bonds4

About ditert-butyl ethyl borate

ditert-butyl ethyl borate (PubChem CID 174586427) has the molecular formula C10H23BO3 and a molecular weight of 202.10 g/mol. Its IUPAC name is ditert-butyl ethyl borate.

Molecular Properties

Compound Nameditert-butyl ethyl borate
PubChem CID174586427
Molecular FormulaC10H23BO3
Molecular Weight202.10 g/mol
Exact Mass202.17
IUPAC Nameditert-butyl ethyl borate
SMILESCCOB(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C10H23BO3/c1-8-12-11(13-9(2,3)4)14-10(5,6)7/h8H2,1-7H3
InChIKeyKFGGZQJDUPUUQP-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ditert-butyl ethyl borate 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

triethyl borate;hydrate
CID 141236748
triethyl borate;bis(trimethylsilane)
CID 175760851
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-ethoxy-2-methylpropane
CID 12512
methyl-(2-methylbutan-2-yloxy)-[methyl-[(2-methylpropan-2-yl)oxy]boranyl]borane
CID 123406933
dibutyl-[(2-methylpropan-2-yl)oxy]borane
CID 15908787
potassium;ethoxyethane;2-methylpropan-2-olate
CID 131710289
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
CID 160538255
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
2-(ethoxymethoxymethoxymethoxy)-2-methylpropane
CID 88544063
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736

Frequently Asked Questions

What is the IUPAC name of ditert-butyl ethyl borate?
The IUPAC name of ditert-butyl ethyl borate (CID 174586427) is ditert-butyl ethyl borate.
What is the SMILES notation for ditert-butyl ethyl borate?
The canonical SMILES for ditert-butyl ethyl borate is CCOB(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of ditert-butyl ethyl borate?
The InChIKey is KFGGZQJDUPUUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO3/c1-8-12-11(13-9(2,3)4)14-10(5,6)7/h8H2,1-7H3.
What are the key properties of ditert-butyl ethyl borate?
ditert-butyl ethyl borate has a molecular weight of 202.10 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl ethyl borate is sourced from PubChem (CID 174586427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).