(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol

C10H19BO3 — CID 171156333

IUPAC(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
SMILESC[C@@H](O)C=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO3/c1-8(12)6-7-11-13-9(2,3)10(4,5)14-11/h6-8,12H,1-5H3/t8-/m1/s1
InChIKeyFTMZSELHFLRJHW-MRVPVSSYSA-N
MW198.07 g/mol
LogP1.55
Rot. Bonds2

About (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol

(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol (PubChem CID 171156333) has the molecular formula C10H19BO3 and a molecular weight of 198.07 g/mol. Its IUPAC name is (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
PubChem CID171156333
Molecular FormulaC10H19BO3
Molecular Weight198.07 g/mol
Exact Mass198.14
IUPAC Name(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
SMILESC[C@@H](O)C=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO3/c1-8(12)6-7-11-13-9(2,3)10(4,5)14-11/h6-8,12H,1-5H3/t8-/m1/s1
InChIKeyFTMZSELHFLRJHW-MRVPVSSYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol?
The IUPAC name of (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol (CID 171156333) is (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol.
What is the SMILES notation for (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol?
The canonical SMILES for (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol is C[C@@H](O)C=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol?
The InChIKey is FTMZSELHFLRJHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19BO3/c1-8(12)6-7-11-13-9(2,3)10(4,5)14-11/h6-8,12H,1-5H3/t8-/m1/s1.
What are the key properties of (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol?
(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol has a molecular weight of 198.07 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol is sourced from PubChem (CID 171156333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).