spiro[5.5]undec-3-en-3-ylboronic acid

C11H19BO2 — CID 59771267

IUPACspiro[5.5]undec-3-en-3-ylboronic acid
SMILESOB(O)C1=CCC2(CCCCC2)CC1
InChIInChI=1S/C11H19BO2/c13-12(14)10-4-8-11(9-5-10)6-2-1-3-7-11/h4,13-14H,1-3,5-9H2
InChIKeyPTYYBUICQKAZDK-UHFFFAOYSA-N
MW194.08 g/mol
LogP2.06
Rot. Bonds1

About spiro[5.5]undec-3-en-3-ylboronic acid

spiro[5.5]undec-3-en-3-ylboronic acid (PubChem CID 59771267) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is spiro[5.5]undec-3-en-3-ylboronic acid.

Molecular Properties

Compound Namespiro[5.5]undec-3-en-3-ylboronic acid
PubChem CID59771267
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Namespiro[5.5]undec-3-en-3-ylboronic acid
SMILESOB(O)C1=CCC2(CCCCC2)CC1
InChIInChI=1S/C11H19BO2/c13-12(14)10-4-8-11(9-5-10)6-2-1-3-7-11/h4,13-14H,1-3,5-9H2
InChIKeyPTYYBUICQKAZDK-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 spiro[5.5]undec-3-en-3-ylboronic acid?
The IUPAC name of spiro[5.5]undec-3-en-3-ylboronic acid (CID 59771267) is spiro[5.5]undec-3-en-3-ylboronic acid.
What is the SMILES notation for spiro[5.5]undec-3-en-3-ylboronic acid?
The canonical SMILES for spiro[5.5]undec-3-en-3-ylboronic acid is OB(O)C1=CCC2(CCCCC2)CC1.
What is the InChIKey of spiro[5.5]undec-3-en-3-ylboronic acid?
The InChIKey is PTYYBUICQKAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO2/c13-12(14)10-4-8-11(9-5-10)6-2-1-3-7-11/h4,13-14H,1-3,5-9H2.
What are the key properties of spiro[5.5]undec-3-en-3-ylboronic acid?
spiro[5.5]undec-3-en-3-ylboronic acid has a molecular weight of 194.08 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undec-3-en-3-ylboronic acid is sourced from PubChem (CID 59771267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).