4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane

C20H38B2O4 — CID 15649673

IUPAC4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane
SMILESCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\CCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H38B2O4/c1-11-13-15(21-23-17(3,4)18(5,6)24-21)16(14-12-2)22-25-19(7,8)20(9,10)26-22/h11-14H2,1-10H3/b16-15-
InChIKeySJPRKLHPEYISSQ-NXVVXOECSA-N
MW364.14 g/mol
LogP5.15
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane (PubChem CID 15649673) has the molecular formula C20H38B2O4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane
PubChem CID15649673
Molecular FormulaC20H38B2O4
Molecular Weight364.14 g/mol
Exact Mass364.30
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane
SMILESCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\CCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H38B2O4/c1-11-13-15(21-23-17(3,4)18(5,6)24-21)16(14-12-2)22-25-19(7,8)20(9,10)26-22/h11-14H2,1-10H3/b16-15-
InChIKeySJPRKLHPEYISSQ-NXVVXOECSA-N
XLogP5.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester
CID 5708400
(E)-1-Hexene-1,2-diboronic acid bis(pinacol) ester
CID 5708399
4,4,5,5-Tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]-1,3,2-dioxaborolane
CID 11220961
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
4,4,5,5-tetramethyl-2-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-en-2-yl]-1,3,2-dioxaborolane
CID 101716723
2-[1-Cyclohexylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101941944
4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 102068894
4,4,5,5-tetramethyl-2-[(3E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,3-dien-4-yl]-1,3,2-dioxaborolane
CID 102361539
4,4,5,5-Tetramethyl-2-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 134903881
2-[(Z)-5,5-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-3-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134903891
4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-en-2-yl]-1,3,2-dioxaborolane
CID 134904048

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane (CID 15649673) is 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane is CCC/C(B1OC(C)(C)C(C)(C)O1)=C(\CCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane?
The InChIKey is SJPRKLHPEYISSQ-NXVVXOECSA-N. The full InChI is InChI=1S/C20H38B2O4/c1-11-13-15(21-23-17(3,4)18(5,6)24-21)16(14-12-2)22-25-19(7,8)20(9,10)26-22/h11-14H2,1-10H3/b16-15-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane has a molecular weight of 364.14 g/mol, XLogP of 5.15, 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-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-4-en-4-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 15649673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).