4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane

C11H19BO3 — CID 146082256

IUPAC4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2[C@H]3COC[C@@H]23)OC1(C)C
InChIInChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-13-6-8(7)9/h7-9H,5-6H2,1-4H3/t7-,8+,9?
InChIKeyHHJSEQDSZMCBIO-JVHMLUBASA-N
MW210.08 g/mol
LogP1.73
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane (PubChem CID 146082256) has the molecular formula C11H19BO3 and a molecular weight of 210.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane
PubChem CID146082256
Molecular FormulaC11H19BO3
Molecular Weight210.08 g/mol
Exact Mass210.14
IUPAC Name4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2[C@H]3COC[C@@H]23)OC1(C)C
InChIInChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-13-6-8(7)9/h7-9H,5-6H2,1-4H3/t7-,8+,9?
InChIKeyHHJSEQDSZMCBIO-JVHMLUBASA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 51.73
H-Bond Donors ≤ 50
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 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane (CID 146082256) is 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane is CC1(C)OB(C2[C@H]3COC[C@@H]23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane?
The InChIKey is HHJSEQDSZMCBIO-JVHMLUBASA-N. The full InChI is InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-13-6-8(7)9/h7-9H,5-6H2,1-4H3/t7-,8+,9?.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane has a molecular weight of 210.08 g/mol, XLogP of 1.73, 1 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-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 146082256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).