4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane

C14H27BO3 — CID 162415765

IUPAC4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane
SMILESCC(C)C[C@@H]1COC[C@@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO3/c1-10(2)7-11-8-16-9-12(11)15-17-13(3,4)14(5,6)18-15/h10-12H,7-9H2,1-6H3/t11-,12+/m1/s1
InChIKeyHTGLORJQJRWAQT-NEPJUHHUSA-N
MW254.18 g/mol
LogP3.14
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane (PubChem CID 162415765) has the molecular formula C14H27BO3 and a molecular weight of 254.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane
PubChem CID162415765
Molecular FormulaC14H27BO3
Molecular Weight254.18 g/mol
Exact Mass254.21
IUPAC Name4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane
SMILESCC(C)C[C@@H]1COC[C@@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO3/c1-10(2)7-11-8-16-9-12(11)15-17-13(3,4)14(5,6)18-15/h10-12H,7-9H2,1-6H3/t11-,12+/m1/s1
InChIKeyHTGLORJQJRWAQT-NEPJUHHUSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 53.14
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-(2,2-Dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58466142
CID 59301894
CID 59301894
CID 60062614
CID 60062614
CID 161921686
CID 161921686
4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane
CID 163602277
CID 165101068
CID 165101068
CID 173479636
CID 173479636
2,2'-(1-(Tetrahydro-2H-pyran-4-yl)propane-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 176911863
4,4,5,5-Tetramethyl-2-[1-(oxolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 10727919
CID 20614250
CID 20614250
CID 59297491
CID 59297491
CID 72249561
CID 72249561

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane (CID 162415765) is 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane is CC(C)C[C@@H]1COC[C@@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane?
The InChIKey is HTGLORJQJRWAQT-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27BO3/c1-10(2)7-11-8-16-9-12(11)15-17-13(3,4)14(5,6)18-15/h10-12H,7-9H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane has a molecular weight of 254.18 g/mol, XLogP of 3.14, 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-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 162415765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).