2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H27BO2 — CID 154719959

IUPAC2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C/C=C/C1=CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BO2/c1-14(10-9-13-15-11-7-6-8-12-15)18-19-16(2,3)17(4,5)20-18/h9-11,13H,6-8,12H2,1-5H3/b13-9+,14-10-
InChIKeyGBUQGVLONZHMAN-ITAGJCAXSA-N
MW274.21 g/mol
LogP4.62
Rot. Bonds3

About 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154719959) has the molecular formula C17H27BO2 and a molecular weight of 274.21 g/mol. Its IUPAC name is 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154719959
Molecular FormulaC17H27BO2
Molecular Weight274.21 g/mol
Exact Mass274.21
IUPAC Name2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C/C=C/C1=CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BO2/c1-14(10-9-13-15-11-7-6-8-12-15)18-19-16(2,3)17(4,5)20-18/h9-11,13H,6-8,12H2,1-5H3/b13-9+,14-10-
InChIKeyGBUQGVLONZHMAN-ITAGJCAXSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
Agn-PC-009zql
CID 11482352
2-Cyclohex-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11252761
2-Cyclohept-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486610
2-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 44119647
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416217
2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71463717
2-(Cyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102493054
2-(6-Fluoro-2-methylnona-1,3,5-trien-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123749372

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154719959) is 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(=C/C=C/C1=CCCCC1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GBUQGVLONZHMAN-ITAGJCAXSA-N. The full InChI is InChI=1S/C17H27BO2/c1-14(10-9-13-15-11-7-6-8-12-15)18-19-16(2,3)17(4,5)20-18/h9-11,13H,6-8,12H2,1-5H3/b13-9+,14-10-.
What are the key properties of 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 274.21 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154719959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).