4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane

C14H27BO3 — CID 163602277

IUPAC4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane
SMILESCC1CCO[C@@H]1CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO3/c1-11-8-10-16-12(11)7-6-9-15-17-13(2,3)14(4,5)18-15/h11-12H,6-10H2,1-5H3/t11?,12-/m1/s1
InChIKeyGYRICIQNCQLSEA-PIJUOVFKSA-N
MW254.18 g/mol
LogP3.28
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane (PubChem CID 163602277) has the molecular formula C14H27BO3 and a molecular weight of 254.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane
PubChem CID163602277
Molecular FormulaC14H27BO3
Molecular Weight254.18 g/mol
Exact Mass254.21
IUPAC Name4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane
SMILESCC1CCO[C@@H]1CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO3/c1-11-8-10-16-12(11)7-6-9-15-17-13(2,3)14(4,5)18-15/h11-12H,6-10H2,1-5H3/t11?,12-/m1/s1
InChIKeyGYRICIQNCQLSEA-PIJUOVFKSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134903749
2-[[(3R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134903855
4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane
CID 162415765
2-(2-Butyltetrahydrofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163408167
CID 88572266
CID 88572266
CID 159980627
CID 159980627
CID 161921686
CID 161921686
CID 165101068
CID 165101068
CID 173769286
CID 173769286
CID 173908192
CID 173908192
CID 173927142
CID 173927142
CID 174094007
CID 174094007

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane (CID 163602277) is 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane is CC1CCO[C@@H]1CCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane?
The InChIKey is GYRICIQNCQLSEA-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H27BO3/c1-11-8-10-16-12(11)7-6-9-15-17-13(2,3)14(4,5)18-15/h11-12H,6-10H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane has a molecular weight of 254.18 g/mol, XLogP of 3.28, 4 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-[3-[(2R)-3-methyloxolan-2-yl]propyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 163602277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).