2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H27BO3 — CID 163408167

IUPAC2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCC1(B2OC(C)(C)C(C)(C)O2)CCCO1
InChIInChI=1S/C14H27BO3/c1-6-7-9-14(10-8-11-16-14)15-17-12(2,3)13(4,5)18-15/h6-11H2,1-5H3
InChIKeyNRBMKRGTPKAQBO-UHFFFAOYSA-N
MW254.18 g/mol
LogP3.36
Rot. Bonds4

About 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 163408167) has the molecular formula C14H27BO3 and a molecular weight of 254.18 g/mol. Its IUPAC name is 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID163408167
Molecular FormulaC14H27BO3
Molecular Weight254.18 g/mol
Exact Mass254.21
IUPAC Name2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCC1(B2OC(C)(C)C(C)(C)O2)CCCO1
InChIInChI=1S/C14H27BO3/c1-6-7-9-14(10-8-11-16-14)15-17-12(2,3)13(4,5)18-15/h6-11H2,1-5H3
InChIKeyNRBMKRGTPKAQBO-UHFFFAOYSA-N
XLogP3.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-butyloxan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164670972
4,4,5,5-Tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane
CID 164681010
4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane
CID 163602277
4,4,5,5-Tetramethyl-2-[1-(oxolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 10727919
2-(1-Butoxyheptan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10891850
4,4,5,5-Tetramethyl-2-[1-(oxan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 100960976
4,4,5,5-Tetramethyl-2-[1-(6-methyloxan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 100960977
3-(5,5-Dimethyl) tetrahydrofuran boronic acid pinacol ester
CID 130067614
(5-Methyl)tetrahydrofuran-3-boronic acid pinacol ester
CID 133662318
4,4,5,5-Tetramethyl-2-(oxolan-2-ylmethyl)-1,3,2-dioxaborolane
CID 170913585
4,4,5,5-tetramethyl-2-[[(2R,3S)-2-pentyloxolan-3-yl]methyl]-1,3,2-dioxaborolane
CID 177531800

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 163408167) is 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCC1(B2OC(C)(C)C(C)(C)O2)CCCO1.
What is the InChIKey of 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NRBMKRGTPKAQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO3/c1-6-7-9-14(10-8-11-16-14)15-17-12(2,3)13(4,5)18-15/h6-11H2,1-5H3.
What are the key properties of 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 254.18 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyloxolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 163408167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).