2-butyl-4,5-dimethyl-1,3,2-dioxaborolane

C8H17BO2 — CID 13302905

IUPAC2-butyl-4,5-dimethyl-1,3,2-dioxaborolane
SMILESCCCCB1OC(C)C(C)O1
InChIInChI=1S/C8H17BO2/c1-4-5-6-9-10-7(2)8(3)11-9/h7-8H,4-6H2,1-3H3
InChIKeyHUGGXGBRPRUFQG-UHFFFAOYSA-N
MW156.03 g/mol
LogP2.10
Rot. Bonds3

About 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane

2-butyl-4,5-dimethyl-1,3,2-dioxaborolane (PubChem CID 13302905) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-butyl-4,5-dimethyl-1,3,2-dioxaborolane
PubChem CID13302905
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Name2-butyl-4,5-dimethyl-1,3,2-dioxaborolane
SMILESCCCCB1OC(C)C(C)O1
InChIInChI=1S/C8H17BO2/c1-4-5-6-9-10-7(2)8(3)11-9/h7-8H,4-6H2,1-3H3
InChIKeyHUGGXGBRPRUFQG-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 52.10
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

3,8,13-tributyl-2,4,7,9,12,14-hexaoxa-3,8,13-triboratetracyclo[8.5.0.05,15.06,11]pentadecane
CID 587558
(4S,5S)-2-butyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 58850473
4,9,14-trioctyl-3,5,8,10,13,15-hexaoxa-4,9,14-triboratetracyclo[9.4.0.02,6.07,12]pentadecane
CID 607155
(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 10978509
2-butyl-6-methyl-1,3,2-dioxaborinan-4-one
CID 551048
(3aR,9aR)-2-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxaborole
CID 6427281
[(E)-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-trimethylsilane
CID 168948884
2-heptadecyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146165208
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
2-methyl-3-(4-methyloctan-4-yl)oxirane
CID 123318420

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane (CID 13302905) is 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane is CCCCB1OC(C)C(C)O1.
What is the InChIKey of 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane?
The InChIKey is HUGGXGBRPRUFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-4-5-6-9-10-7(2)8(3)11-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane?
2-butyl-4,5-dimethyl-1,3,2-dioxaborolane has a molecular weight of 156.03 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-dimethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 13302905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).