2-[(Z)-3-cyclopentyl-1-(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

C20H36B2O4 — CID 135001530

IUPAC2-[(Z)-3-cyclopentyl-1-(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
SMILESCC1(C)OB(/C=C(\CC2CCCC2)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C20H36B2O4/c1-17(2)18(3,4)24-21(23-17)14-16(13-15-11-9-10-12-15)22-25-19(5,6)20(7,8)26-22/h14-15H,9-13H2,1-8H3/b16-14+
InChIKeyBULBUSXLKYODSB-JQIJEIRASA-N
MW362.13 g/mol
LogP4.76
Rot. Bonds4

About 2-[(Z)-3-cyclopentyl-1-(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

2-[(Z)-3-cyclopentyl-1-(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 (PubChem CID 135001530) has the molecular formula C20H36B2O4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 2-[(Z)-3-cyclopentyl-1-(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.

Molecular Properties

Compound Name2-[(Z)-3-cyclopentyl-1-(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
PubChem CID135001530
Molecular FormulaC20H36B2O4
Molecular Weight362.13 g/mol
Exact Mass362.28
IUPAC Name2-[(Z)-3-cyclopentyl-1-(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
SMILESCC1(C)OB(/C=C(\CC2CCCC2)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C20H36B2O4/c1-17(2)18(3,4)24-21(23-17)14-16(13-15-11-9-10-12-15)22-25-19(5,6)20(7,8)26-22/h14-15H,9-13H2,1-8H3/b16-14+
InChIKeyBULBUSXLKYODSB-JQIJEIRASA-N
XLogP4.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-3-cyclopentyl-1-(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 with MolForge

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Related Compounds

2-(1-Cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90093321
2-[1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73095807
(E)-1-Hexene-1,2-diboronic acid bis(pinacol) ester
CID 5708399
2-[(1R)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11773273
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
2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100970793
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
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
2-[(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101913731
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
4,4,5,5-Tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-4-yl]-1,3,2-dioxaborolane
CID 134903839

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-cyclopentyl-1-(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?
The IUPAC name of 2-[(Z)-3-cyclopentyl-1-(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 135001530) is 2-[(Z)-3-cyclopentyl-1-(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.
What is the SMILES notation for 2-[(Z)-3-cyclopentyl-1-(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?
The canonical SMILES for 2-[(Z)-3-cyclopentyl-1-(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 is CC1(C)OB(/C=C(\CC2CCCC2)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 2-[(Z)-3-cyclopentyl-1-(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?
The InChIKey is BULBUSXLKYODSB-JQIJEIRASA-N. The full InChI is InChI=1S/C20H36B2O4/c1-17(2)18(3,4)24-21(23-17)14-16(13-15-11-9-10-12-15)22-25-19(5,6)20(7,8)26-22/h14-15H,9-13H2,1-8H3/b16-14+.
What are the key properties of 2-[(Z)-3-cyclopentyl-1-(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?
2-[(Z)-3-cyclopentyl-1-(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 has a molecular weight of 362.13 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-cyclopentyl-1-(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 is sourced from PubChem (CID 135001530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).