dioxido-[4-(2-propoxyethoxy)phenoxy]borane

C11H15BO5-2 — CID 86756814

IUPACdioxido-[4-(2-propoxyethoxy)phenoxy]borane
SMILESCCCOCCOc1ccc(OB([O-])[O-])cc1
InChIInChI=1S/C11H15BO5/c1-2-7-15-8-9-16-10-3-5-11(6-4-10)17-12(13)14/h3-6H,2,7-9H2,1H3/q-2
InChIKeyOICNUFLBVATCCI-UHFFFAOYSA-N
MW238.05 g/mol
LogP-0.42
Rot. Bonds8

About dioxido-[4-(2-propoxyethoxy)phenoxy]borane

dioxido-[4-(2-propoxyethoxy)phenoxy]borane (PubChem CID 86756814) has the molecular formula C11H15BO5-2 and a molecular weight of 238.05 g/mol. Its IUPAC name is dioxido-[4-(2-propoxyethoxy)phenoxy]borane.

Molecular Properties

Compound Namedioxido-[4-(2-propoxyethoxy)phenoxy]borane
PubChem CID86756814
Molecular FormulaC11H15BO5-2
Molecular Weight238.05 g/mol
Exact Mass238.10
IUPAC Namedioxido-[4-(2-propoxyethoxy)phenoxy]borane
SMILESCCCOCCOc1ccc(OB([O-])[O-])cc1
InChIInChI=1S/C11H15BO5/c1-2-7-15-8-9-16-10-3-5-11(6-4-10)17-12(13)14/h3-6H,2,7-9H2,1H3/q-2
InChIKeyOICNUFLBVATCCI-UHFFFAOYSA-N
XLogP-0.42
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dioxido-(4-propoxyphenoxy)borane
CID 86756777
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468

Frequently Asked Questions

What is the IUPAC name of dioxido-[4-(2-propoxyethoxy)phenoxy]borane?
The IUPAC name of dioxido-[4-(2-propoxyethoxy)phenoxy]borane (CID 86756814) is dioxido-[4-(2-propoxyethoxy)phenoxy]borane.
What is the SMILES notation for dioxido-[4-(2-propoxyethoxy)phenoxy]borane?
The canonical SMILES for dioxido-[4-(2-propoxyethoxy)phenoxy]borane is CCCOCCOc1ccc(OB([O-])[O-])cc1.
What is the InChIKey of dioxido-[4-(2-propoxyethoxy)phenoxy]borane?
The InChIKey is OICNUFLBVATCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO5/c1-2-7-15-8-9-16-10-3-5-11(6-4-10)17-12(13)14/h3-6H,2,7-9H2,1H3/q-2.
What are the key properties of dioxido-[4-(2-propoxyethoxy)phenoxy]borane?
dioxido-[4-(2-propoxyethoxy)phenoxy]borane has a molecular weight of 238.05 g/mol, XLogP of -0.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-[4-(2-propoxyethoxy)phenoxy]borane is sourced from PubChem (CID 86756814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).