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

C20H38B2O4 — CID 134903891

IUPAC2-[(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
SMILESCC(C)(C)/C=C(\CCB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H38B2O4/c1-16(2,3)14-15(22-25-19(8,9)20(10,11)26-22)12-13-21-23-17(4,5)18(6,7)24-21/h14H,12-13H2,1-11H3/b15-14+
InChIKeyUAJDBFXABLOJCU-CCEZHUSRSA-N
MW364.14 g/mol
LogP5.07
Rot. Bonds4

About 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

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 (PubChem CID 134903891) has the molecular formula C20H38B2O4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID134903891
Molecular FormulaC20H38B2O4
Molecular Weight364.14 g/mol
Exact Mass364.30
IUPAC Name2-[(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
SMILESCC(C)(C)/C=C(\CCB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H38B2O4/c1-16(2,3)14-15(22-25-19(8,9)20(10,11)26-22)12-13-21-23-17(4,5)18(6,7)24-21/h14H,12-13H2,1-11H3/b15-14+
InChIKeyUAJDBFXABLOJCU-CCEZHUSRSA-N
XLogP5.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1,1'-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ferrocene
CID 16217802
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
cis-4,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-octene
CID 15649673
(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester
CID 5708400
2-[(E)-4,4-dimethylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886562
4,4,5,5-Tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,3-dien-1-yl]-1,3,2-dioxaborolane
CID 71143057
2-[5,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenta-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102497694
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-[(E,7E)-7-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]undec-5-en-6-yl]-1,3,2-dioxaborolane
CID 10949792
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)/C=C(\CCB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 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?
The InChIKey is UAJDBFXABLOJCU-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H38B2O4/c1-16(2,3)14-15(22-25-19(8,9)20(10,11)26-22)12-13-21-23-17(4,5)18(6,7)24-21/h14H,12-13H2,1-11H3/b15-14+.
What are the key properties of 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?
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 has a molecular weight of 364.14 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134903891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).