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

C18H34B2O4 — CID 154712091

IUPAC4,4,5,5-tetramethyl-2-[(2R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-2-yl]-1,3,2-dioxaborolane
SMILESC=CCC[C@@H](CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H34B2O4/c1-10-11-12-14(20-23-17(6,7)18(8,9)24-20)13-19-21-15(2,3)16(4,5)22-19/h10,14H,1,11-13H2,2-9H3/t14-/m0/s1
InChIKeyBSBWNRLXSTXHEG-AWEZNQCLSA-N
MW336.09 g/mol
LogP4.51
Rot. Bonds6

About 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

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 (PubChem CID 154712091) has the molecular formula C18H34B2O4 and a molecular weight of 336.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(2R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-2-yl]-1,3,2-dioxaborolane
PubChem CID154712091
Molecular FormulaC18H34B2O4
Molecular Weight336.09 g/mol
Exact Mass336.26
IUPAC Name4,4,5,5-tetramethyl-2-[(2R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-en-2-yl]-1,3,2-dioxaborolane
SMILESC=CCC[C@@H](CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H34B2O4/c1-10-11-12-14(20-23-17(6,7)18(8,9)24-20)13-19-21-15(2,3)16(4,5)22-19/h10,14H,1,11-13H2,2-9H3/t14-/m0/s1
InChIKeyBSBWNRLXSTXHEG-AWEZNQCLSA-N
XLogP4.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.09
LogP ≤ 54.51
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'}

Analyze 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 with MolForge

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Related Compounds

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536
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-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane
CID 10968830
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
2-[(2E,6E)-3,6-dimethyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-2,6-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11728853
2-[1-Ethenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11760165

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCC[C@@H](CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 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?
The InChIKey is BSBWNRLXSTXHEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H34B2O4/c1-10-11-12-14(20-23-17(6,7)18(8,9)24-20)13-19-21-15(2,3)16(4,5)22-19/h10,14H,1,11-13H2,2-9H3/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 336.09 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154712091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).