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

C20H34B2O4 — CID 11760165

IUPAC2-[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
SMILESC=CC1(B2OC(C)(C)C(C)(C)O2)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C20H34B2O4/c1-10-20(22-25-18(6,7)19(8,9)26-22)13-11-15(12-14-20)21-23-16(2,3)17(4,5)24-21/h10-11H,1,12-14H2,2-9H3
InChIKeyZYQQCGJSPBZTBR-UHFFFAOYSA-N
MW360.11 g/mol
LogP4.75
Rot. Bonds3

About 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

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 (PubChem CID 11760165) has the molecular formula C20H34B2O4 and a molecular weight of 360.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID11760165
Molecular FormulaC20H34B2O4
Molecular Weight360.11 g/mol
Exact Mass360.26
IUPAC Name2-[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
SMILESC=CC1(B2OC(C)(C)C(C)(C)O2)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C20H34B2O4/c1-10-20(22-25-18(6,7)19(8,9)26-22)13-11-15(12-14-20)21-23-16(2,3)17(4,5)24-21/h10-11H,1,12-14H2,2-9H3
InChIKeyZYQQCGJSPBZTBR-UHFFFAOYSA-N
XLogP4.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.11
LogP ≤ 54.75
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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Cyclohex-3-en-1-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319037
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-[(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
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-[(Z)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11749204
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-[(Z)-1-cyclopentyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101716724
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-[(E,1E)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexylidene]oct-2-enyl]-1,3,2-dioxaborolane
CID 134903709
2-[(E)-1-cyclopentyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134903893
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
2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134904626

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1(B2OC(C)(C)C(C)(C)O2)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 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?
The InChIKey is ZYQQCGJSPBZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34B2O4/c1-10-20(22-25-18(6,7)19(8,9)26-22)13-11-15(12-14-20)21-23-16(2,3)17(4,5)24-21/h10-11H,1,12-14H2,2-9H3.
What are the key properties of 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?
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 has a molecular weight of 360.11 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11760165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).