2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane

C9H19BO3 — CID 86061964

IUPAC2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCCCCOB1OCC(C)(C)CO1
InChIInChI=1S/C9H19BO3/c1-4-5-6-11-10-12-7-9(2,3)8-13-10/h4-8H2,1-3H3
InChIKeyWWSDZHDWBHQQAF-UHFFFAOYSA-N
MW186.06 g/mol
LogP1.86
Rot. Bonds4

About 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane

2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane (PubChem CID 86061964) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
PubChem CID86061964
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCCCCOB1OCC(C)(C)CO1
InChIInChI=1S/C9H19BO3/c1-4-5-6-11-10-12-7-9(2,3)8-13-10/h4-8H2,1-3H3
InChIKeyWWSDZHDWBHQQAF-UHFFFAOYSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-butoxy-1,3,2-dioxaborinane
CID 19598588
5-methoxy-5-methyl-2-propoxy-1,3,2-dioxaborinane
CID 13157938
2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 549749
5,5-dimethyl-2-propyl-1,3,2-dioxaborinane
CID 13053051
2-hex-1-ynyl-5,5-dimethyl-1,3,2-dioxaborinane
CID 642690
2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane
CID 15256202
ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane
CID 145269779
2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine
CID 89212237
1-butoxy-5-fluoro-3H-2,1-benzoxaborole
CID 90324234
3-butoxy-3-methyldioxirane;titanium
CID 175327967
2-(4-dodecylthiophen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
CID 71425808
3-butoxy-3,5,5-trimethyldioxolane
CID 71459280

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane (CID 86061964) is 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane is CCCCOB1OCC(C)(C)CO1.
What is the InChIKey of 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane?
The InChIKey is WWSDZHDWBHQQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-4-5-6-11-10-12-7-9(2,3)8-13-10/h4-8H2,1-3H3.
What are the key properties of 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane?
2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane has a molecular weight of 186.06 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 86061964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).