2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H33BO2 — CID 71463717

IUPAC2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C2=C/CCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C18H33BO2/c1-17(2)18(3,4)21-19(20-17)16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,5-13,15H2,1-4H3/b16-14+
InChIKeyCNSWZOSRAMYLNC-JQIJEIRASA-N
MW292.27 g/mol
LogP5.46
Rot. Bonds1

About 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 71463717) has the molecular formula C18H33BO2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID71463717
Molecular FormulaC18H33BO2
Molecular Weight292.27 g/mol
Exact Mass292.26
IUPAC Name2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C2=C/CCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C18H33BO2/c1-17(2)18(3,4)21-19(20-17)16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,5-13,15H2,1-4H3/b16-14+
InChIKeyCNSWZOSRAMYLNC-JQIJEIRASA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.27
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 71463717) is 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C2=C/CCCCCCCCCC2)OC1(C)C.
What is the InChIKey of 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CNSWZOSRAMYLNC-JQIJEIRASA-N. The full InChI is InChI=1S/C18H33BO2/c1-17(2)18(3,4)21-19(20-17)16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,5-13,15H2,1-4H3/b16-14+.
What are the key properties of 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.27 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 71463717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).