4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane

C14H23BO2 — CID 23142541

IUPAC4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CC2)CC3)OC1(C)C
InChIInChI=1S/C14H23BO2/c1-12(2)13(3,4)17-15(16-12)11-5-7-14(8-6-11)9-10-14/h5H,6-10H2,1-4H3
InChIKeyKPZIKZBFRLOIDN-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.51
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane (PubChem CID 23142541) has the molecular formula C14H23BO2 and a molecular weight of 234.15 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane
PubChem CID23142541
Molecular FormulaC14H23BO2
Molecular Weight234.15 g/mol
Exact Mass234.18
IUPAC Name4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CC2)CC3)OC1(C)C
InChIInChI=1S/C14H23BO2/c1-12(2)13(3,4)17-15(16-12)11-5-7-14(8-6-11)9-10-14/h5H,6-10H2,1-4H3
InChIKeyKPZIKZBFRLOIDN-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.51
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 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane (CID 23142541) is 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC3(CC2)CC3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane?
The InChIKey is KPZIKZBFRLOIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO2/c1-12(2)13(3,4)17-15(16-12)11-5-7-14(8-6-11)9-10-14/h5H,6-10H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane has a molecular weight of 234.15 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 23142541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).