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

C20H36B2O4 — CID 134903893

IUPAC2-[(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
SMILESCC1(C)OB(C/C(=C/C2CCCC2)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/h13,15H,9-12,14H2,1-8H3/b16-13-
InChIKeyYGHCFQWONIULFU-SSZFMOIBSA-N
MW362.13 g/mol
LogP4.83
Rot. Bonds4

About 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

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 (PubChem CID 134903893) has the molecular formula C20H36B2O4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID134903893
Molecular FormulaC20H36B2O4
Molecular Weight362.13 g/mol
Exact Mass362.28
IUPAC Name2-[(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
SMILESCC1(C)OB(C/C(=C/C2CCCC2)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/h13,15H,9-12,14H2,1-8H3/b16-13-
InChIKeyYGHCFQWONIULFU-SSZFMOIBSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-{Bicyclo[2.2.1]hept-2-en-2-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 118798230
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
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
2-[(1E,3E)-1,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15247767
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
2-[1-Cyclopentyl-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 134903894
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-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134904098
2-[(1E,3E)-1,4-dicyclopentyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134904110
2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134978718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(C/C(=C/C2CCCC2)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 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?
The InChIKey is YGHCFQWONIULFU-SSZFMOIBSA-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/h13,15H,9-12,14H2,1-8H3/b16-13-.
What are the key properties of 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?
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 has a molecular weight of 362.13 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134903893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).