[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol

C10H19BO3 — CID 146165741

IUPAC[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol
SMILESCC1(C)OB([C@@H]2C[C@H]2CO)OC1(C)C
InChIInChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-5-7(8)6-12/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyMDHNDTVRXDFFEA-JGVFFNPUSA-N
MW198.07 g/mol
LogP1.46
Rot. Bonds2

About [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol

[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol (PubChem CID 146165741) has the molecular formula C10H19BO3 and a molecular weight of 198.07 g/mol. Its IUPAC name is [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol
PubChem CID146165741
Molecular FormulaC10H19BO3
Molecular Weight198.07 g/mol
Exact Mass198.14
IUPAC Name[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol
SMILESCC1(C)OB([C@@H]2C[C@H]2CO)OC1(C)C
InChIInChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-5-7(8)6-12/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyMDHNDTVRXDFFEA-JGVFFNPUSA-N
XLogP1.46
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 ≤ 51.46
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 [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol (CID 146165741) is [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol is CC1(C)OB([C@@H]2C[C@H]2CO)OC1(C)C.
What is the InChIKey of [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol?
The InChIKey is MDHNDTVRXDFFEA-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-5-7(8)6-12/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol?
[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol has a molecular weight of 198.07 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol is sourced from PubChem (CID 146165741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).