1-methoxyethyl dimethyl borate

C5H13BO4 — CID 141109982

IUPAC1-methoxyethyl dimethyl borate
SMILESCOB(OC)OC(C)OC
InChIInChI=1S/C5H13BO4/c1-5(7-2)10-6(8-3)9-4/h5H,1-4H3
InChIKeyLMGJYVQIAAXVRI-UHFFFAOYSA-N
MW147.97 g/mol
LogP0.27
Rot. Bonds5

About 1-methoxyethyl dimethyl borate

1-methoxyethyl dimethyl borate (PubChem CID 141109982) has the molecular formula C5H13BO4 and a molecular weight of 147.97 g/mol. Its IUPAC name is 1-methoxyethyl dimethyl borate.

Molecular Properties

Compound Name1-methoxyethyl dimethyl borate
PubChem CID141109982
Molecular FormulaC5H13BO4
Molecular Weight147.97 g/mol
Exact Mass148.09
IUPAC Name1-methoxyethyl dimethyl borate
SMILESCOB(OC)OC(C)OC
InChIInChI=1S/C5H13BO4/c1-5(7-2)10-6(8-3)9-4/h5H,1-4H3
InChIKeyLMGJYVQIAAXVRI-UHFFFAOYSA-N
XLogP0.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.97
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl dimethyl borate
CID 57057381
1,1-dimethoxyethane chloride
CID 22648542
1,1-dimethoxyethane;hafnium
CID 159457910
tris(1-methoxyethoxy) borate
CID 89306377
lithium;1,1-dimethoxyethane;hydride
CID 174450087
zinc;1,1-dimethoxyethane;dichloride
CID 173213885
lithium;di(propan-2-yl)azanide;bis(trimethyl borate)
CID 23709742
CID 21336188
CID 21336188
1,1-dimethoxyethane;trichloroniobium
CID 19377144
1,1-dimethoxyethane;1,3-dioxolane
CID 69091963
tetrakis[(1S)-1-methoxyethyl] silicate
CID 124630582
1-(1-methoxyethoxy)ethoxyphosphane
CID 174691665

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl dimethyl borate?
The IUPAC name of 1-methoxyethyl dimethyl borate (CID 141109982) is 1-methoxyethyl dimethyl borate.
What is the SMILES notation for 1-methoxyethyl dimethyl borate?
The canonical SMILES for 1-methoxyethyl dimethyl borate is COB(OC)OC(C)OC.
What is the InChIKey of 1-methoxyethyl dimethyl borate?
The InChIKey is LMGJYVQIAAXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO4/c1-5(7-2)10-6(8-3)9-4/h5H,1-4H3.
What are the key properties of 1-methoxyethyl dimethyl borate?
1-methoxyethyl dimethyl borate has a molecular weight of 147.97 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl dimethyl borate is sourced from PubChem (CID 141109982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).