dichloro(1,4-dioxan-2-yl)borane

C4H7BCl2O2 — CID 15430968

IUPACdichloro(1,4-dioxan-2-yl)borane
SMILESClB(Cl)C1COCCO1
InChIInChI=1S/C4H7BCl2O2/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2
InChIKeyUHVQDQWKFKBELH-UHFFFAOYSA-N
MW168.82 g/mol
LogP0.91
Rot. Bonds1

About dichloro(1,4-dioxan-2-yl)borane

dichloro(1,4-dioxan-2-yl)borane (PubChem CID 15430968) has the molecular formula C4H7BCl2O2 and a molecular weight of 168.82 g/mol. Its IUPAC name is dichloro(1,4-dioxan-2-yl)borane.

Molecular Properties

Compound Namedichloro(1,4-dioxan-2-yl)borane
PubChem CID15430968
Molecular FormulaC4H7BCl2O2
Molecular Weight168.82 g/mol
Exact Mass167.99
IUPAC Namedichloro(1,4-dioxan-2-yl)borane
SMILESClB(Cl)C1COCCO1
InChIInChI=1S/C4H7BCl2O2/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2
InChIKeyUHVQDQWKFKBELH-UHFFFAOYSA-N
XLogP0.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.82
LogP ≤ 50.91
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

3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
ethane;2-methyl-1,4-dioxane
CID 91216849
2-prop-1-en-2-yl-1,4-dioxane
CID 178036695
2-(1-chloroethenyl)-1,4-dioxane;hydron
CID 174261802
2-[chloro-(2,3,5,6-tetramethylphenyl)methyl]-1,4-dioxane
CID 62805650
(2-methyloxirane);oxirane
CID 173423277
18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
CID 560657
(2S)-N-methyl-1,4-dioxan-2-amine
CID 161070139
2-(disulfanyl)-1,4-dioxane
CID 165390494
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
CID 101026832
CID 101026832

Frequently Asked Questions

What is the IUPAC name of dichloro(1,4-dioxan-2-yl)borane?
The IUPAC name of dichloro(1,4-dioxan-2-yl)borane (CID 15430968) is dichloro(1,4-dioxan-2-yl)borane.
What is the SMILES notation for dichloro(1,4-dioxan-2-yl)borane?
The canonical SMILES for dichloro(1,4-dioxan-2-yl)borane is ClB(Cl)C1COCCO1.
What is the InChIKey of dichloro(1,4-dioxan-2-yl)borane?
The InChIKey is UHVQDQWKFKBELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BCl2O2/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2.
What are the key properties of dichloro(1,4-dioxan-2-yl)borane?
dichloro(1,4-dioxan-2-yl)borane has a molecular weight of 168.82 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(1,4-dioxan-2-yl)borane is sourced from PubChem (CID 15430968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).