4,4,5,5-tetramethyl-3-propoxydioxaborolane

C9H19BO3 — CID 141340870

IUPAC4,4,5,5-tetramethyl-3-propoxydioxaborolane
SMILESCCCOB1OOC(C)(C)C1(C)C
InChIInChI=1S/C9H19BO3/c1-6-7-11-10-8(2,3)9(4,5)12-13-10/h6-7H2,1-5H3
InChIKeyUUPRWFMKIWMICA-UHFFFAOYSA-N
MW186.06 g/mol
LogP2.42
Rot. Bonds3

About 4,4,5,5-tetramethyl-3-propoxydioxaborolane

4,4,5,5-tetramethyl-3-propoxydioxaborolane (PubChem CID 141340870) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-3-propoxydioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-3-propoxydioxaborolane
PubChem CID141340870
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name4,4,5,5-tetramethyl-3-propoxydioxaborolane
SMILESCCCOB1OOC(C)(C)C1(C)C
InChIInChI=1S/C9H19BO3/c1-6-7-11-10-8(2,3)9(4,5)12-13-10/h6-7H2,1-5H3
InChIKeyUUPRWFMKIWMICA-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane
CID 145269779
5-methoxy-5-methyl-2-propoxy-1,3,2-dioxaborinane
CID 13157938
ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 154376703
propoxygermane
CID 154156354
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319033
3-butoxy-3-methyldioxirane;titanium
CID 175327967
2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59759258
fluoromethane;1-methoxypropane
CID 54348192
2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
CID 86061964
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 164967588
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-3-propoxydioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-3-propoxydioxaborolane (CID 141340870) is 4,4,5,5-tetramethyl-3-propoxydioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-3-propoxydioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-3-propoxydioxaborolane is CCCOB1OOC(C)(C)C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-3-propoxydioxaborolane?
The InChIKey is UUPRWFMKIWMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-6-7-11-10-8(2,3)9(4,5)12-13-10/h6-7H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-3-propoxydioxaborolane?
4,4,5,5-tetramethyl-3-propoxydioxaborolane has a molecular weight of 186.06 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-3-propoxydioxaborolane is sourced from PubChem (CID 141340870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).