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

C14H23BO2 — CID 15748692

IUPAC2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1=CCCCC1
InChIInChI=1S/C14H23BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h9H,1,6-8,10H2,2-5H3
InChIKeyAJVSQDOBXHLBHB-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.67
Rot. Bonds2

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

2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 15748692) has the molecular formula C14H23BO2 and a molecular weight of 234.15 g/mol. Its IUPAC name is 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID15748692
Molecular FormulaC14H23BO2
Molecular Weight234.15 g/mol
Exact Mass234.18
IUPAC Name2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1=CCCCC1
InChIInChI=1S/C14H23BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h9H,1,6-8,10H2,2-5H3
InChIKeyAJVSQDOBXHLBHB-UHFFFAOYSA-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-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 15748692) is 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1=CCCCC1.
What is the InChIKey of 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AJVSQDOBXHLBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h9H,1,6-8,10H2,2-5H3.
What are the key properties of 2-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-(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-[1-(cyclohexen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15748692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).