2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H36B2O4 — CID 101369796

IUPAC2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)[C@H](B1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C19H36B2O4/c1-13(20-22-16(5,6)17(7,8)23-20)14(15(2,3)4)21-24-18(9,10)19(11,12)25-21/h14H,1H2,2-12H3/t14-/m0/s1
InChIKeyJCHBTSLFEZIONS-AWEZNQCLSA-N
MW350.12 g/mol
LogP4.68
Rot. Bonds3

About 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101369796) has the molecular formula C19H36B2O4 and a molecular weight of 350.12 g/mol. Its IUPAC name is 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID101369796
Molecular FormulaC19H36B2O4
Molecular Weight350.12 g/mol
Exact Mass350.28
IUPAC Name2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)[C@H](B1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C19H36B2O4/c1-13(20-22-16(5,6)17(7,8)23-20)14(15(2,3)4)21-24-18(9,10)19(11,12)25-21/h14H,1H2,2-12H3/t14-/m0/s1
InChIKeyJCHBTSLFEZIONS-AWEZNQCLSA-N
XLogP4.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(4,4-Dimethylpent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165999832
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
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
(E)-1-Hexene-1,2-diboronic acid bis(pinacol) ester
CID 5708399
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
2-[(E)-3,3-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11450504
4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]-1,3,2-dioxaborolane
CID 11811253
4,4,5,5-tetramethyl-2-[(3R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridec-1-en-3-yl]-1,3,2-dioxaborolane
CID 16750755
4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-2-yl]-1,3,2-dioxaborolane
CID 101555553
4,4,5,5-Tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-3-yl]-1,3,2-dioxaborolane
CID 101941941

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101369796) is 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)[C@H](B1OC(C)(C)C(C)(C)O1)C(C)(C)C.
What is the InChIKey of 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JCHBTSLFEZIONS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H36B2O4/c1-13(20-22-16(5,6)17(7,8)23-20)14(15(2,3)4)21-24-18(9,10)19(11,12)25-21/h14H,1H2,2-12H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 350.12 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101369796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).