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

C14H23BO2 — CID 11310851

IUPAC2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C2=CCCCC2)OC1(C)C
InChIInChI=1S/C14H23BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h8,10-11H,5-7,9H2,1-4H3/b11-10+
InChIKeyKSZSVSZZECWICY-ZHACJKMWSA-N
MW234.15 g/mol
LogP3.67
Rot. Bonds2

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

2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11310851) has the molecular formula C14H23BO2 and a molecular weight of 234.15 g/mol. Its IUPAC name is 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11310851
Molecular FormulaC14H23BO2
Molecular Weight234.15 g/mol
Exact Mass234.18
IUPAC Name2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C2=CCCCC2)OC1(C)C
InChIInChI=1S/C14H23BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h8,10-11H,5-7,9H2,1-4H3/b11-10+
InChIKeyKSZSVSZZECWICY-ZHACJKMWSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.67
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-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11310851) is 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C/C2=CCCCC2)OC1(C)C.
What is the InChIKey of 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KSZSVSZZECWICY-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H23BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h8,10-11H,5-7,9H2,1-4H3/b11-10+.
What are the key properties of 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 234.15 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11310851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).