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

C17H30B2O4 — CID 101412131

IUPAC2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@@H]1CC1(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H30B2O4/c1-10-12-11-17(12,18-20-13(2,3)14(4,5)21-18)19-22-15(6,7)16(8,9)23-19/h10,12H,1,11H2,2-9H3/t12-/m1/s1
InChIKeyFSBCCPCOVRFYOS-GFCCVEGCSA-N
MW320.05 g/mol
LogP3.66
Rot. Bonds3

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

2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101412131) has the molecular formula C17H30B2O4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID101412131
Molecular FormulaC17H30B2O4
Molecular Weight320.05 g/mol
Exact Mass320.23
IUPAC Name2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@@H]1CC1(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H30B2O4/c1-10-12-11-17(12,18-20-13(2,3)14(4,5)21-18)19-22-15(6,7)16(8,9)23-19/h10,12H,1,11H2,2-9H3/t12-/m1/s1
InChIKeyFSBCCPCOVRFYOS-GFCCVEGCSA-N
XLogP3.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 154719529
(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester
CID 5708400
(Z)-2-(2-Cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 51341975
4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 134904577
4,4,5,5-tetramethyl-2-[(1E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,7-dien-2-yl]-1,3,2-dioxaborolane
CID 11089744
4,4,5,5-tetramethyl-2-[(2R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 11347361
4,4,5,5-Tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobut-2-en-1-yl]-1,3,2-dioxaborolane
CID 134887196
4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane
CID 134946341
4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-1,3,2-dioxaborolane
CID 138963929
4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 138984180
4,4,5,5-tetramethyl-2-[(2R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-2-yl]-1,3,2-dioxaborolane
CID 154712091

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101412131) is 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C[C@@H]1CC1(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FSBCCPCOVRFYOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H30B2O4/c1-10-12-11-17(12,18-20-13(2,3)14(4,5)21-18)19-22-15(6,7)16(8,9)23-19/h10,12H,1,11H2,2-9H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 320.05 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101412131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).