2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H21BO2 — CID 146155738

IUPAC2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC[C@H]1C(B2OC(C)(C)C(C)(C)O2)[C@@H]1C
InChIInChI=1S/C11H21BO2/c1-7-8(2)9(7)12-13-10(3,4)11(5,6)14-12/h7-9H,1-6H3/t7-,8-/m1/s1
InChIKeySZJUFKBENNWZRD-HTQZYQBOSA-N
MW196.10 g/mol
LogP2.73
Rot. Bonds1

About 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 146155738) has the molecular formula C11H21BO2 and a molecular weight of 196.10 g/mol. Its IUPAC name is 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID146155738
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC[C@H]1C(B2OC(C)(C)C(C)(C)O2)[C@@H]1C
InChIInChI=1S/C11H21BO2/c1-7-8(2)9(7)12-13-10(3,4)11(5,6)14-12/h7-9H,1-6H3/t7-,8-/m1/s1
InChIKeySZJUFKBENNWZRD-HTQZYQBOSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 146155738) is 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C[C@H]1C(B2OC(C)(C)C(C)(C)O2)[C@@H]1C.
What is the InChIKey of 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SZJUFKBENNWZRD-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H21BO2/c1-7-8(2)9(7)12-13-10(3,4)11(5,6)14-12/h7-9H,1-6H3/t7-,8-/m1/s1.
What are the key properties of 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 196.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2,3-dimethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 146155738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).