2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C23H40B2O4 — CID 154713061

IUPAC2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\B1OC(C)(C)C(C)(C)O1)C1=CCCC1
InChIInChI=1S/C23H40B2O4/c1-10-11-16-18(24-26-20(2,3)21(4,5)27-24)19(17-14-12-13-15-17)25-28-22(6,7)23(8,9)29-25/h14H,10-13,15-16H2,1-9H3/b19-18+
InChIKeyQFTHDKOBXSKVQT-VHEBQXMUSA-N
MW402.19 g/mol
LogP5.85
Rot. Bonds6

About 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154713061) has the molecular formula C23H40B2O4 and a molecular weight of 402.19 g/mol. Its IUPAC name is 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154713061
Molecular FormulaC23H40B2O4
Molecular Weight402.19 g/mol
Exact Mass402.31
IUPAC Name2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\B1OC(C)(C)C(C)(C)O1)C1=CCCC1
InChIInChI=1S/C23H40B2O4/c1-10-11-16-18(24-26-20(2,3)21(4,5)27-24)19(17-14-12-13-15-17)25-28-22(6,7)23(8,9)29-25/h14H,10-13,15-16H2,1-9H3/b19-18+
InChIKeyQFTHDKOBXSKVQT-VHEBQXMUSA-N
XLogP5.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.19
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-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-[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-[(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
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-[(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
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
2-[1-(Cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134890674
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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154713061) is 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\B1OC(C)(C)C(C)(C)O1)C1=CCCC1.
What is the InChIKey of 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QFTHDKOBXSKVQT-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H40B2O4/c1-10-11-16-18(24-26-20(2,3)21(4,5)27-24)19(17-14-12-13-15-17)25-28-22(6,7)23(8,9)29-25/h14H,10-13,15-16H2,1-9H3/b19-18+.
What are the key properties of 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 402.19 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(cyclopenten-1-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154713061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).