4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane

C17H29BO2 — CID 23141941

IUPAC4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CCCCC3)CC2)OC1(C)C
InChIInChI=1S/C17H29BO2/c1-15(2)16(3,4)20-18(19-15)14-8-12-17(13-9-14)10-6-5-7-11-17/h8H,5-7,9-13H2,1-4H3
InChIKeyUSOMXWBWSIQCNR-UHFFFAOYSA-N
MW276.23 g/mol
LogP4.68
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane (PubChem CID 23141941) has the molecular formula C17H29BO2 and a molecular weight of 276.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane
PubChem CID23141941
Molecular FormulaC17H29BO2
Molecular Weight276.23 g/mol
Exact Mass276.23
IUPAC Name4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CCCCC3)CC2)OC1(C)C
InChIInChI=1S/C17H29BO2/c1-15(2)16(3,4)20-18(19-15)14-8-12-17(13-9-14)10-6-5-7-11-17/h8H,5-7,9-13H2,1-4H3
InChIKeyUSOMXWBWSIQCNR-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.68
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[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane (CID 23141941) is 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC3(CCCCC3)CC2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane?
The InChIKey is USOMXWBWSIQCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BO2/c1-15(2)16(3,4)20-18(19-15)14-8-12-17(13-9-14)10-6-5-7-11-17/h8H,5-7,9-13H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-spiro[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane has a molecular weight of 276.23 g/mol, XLogP of 4.68, 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[5.5]undec-3-en-3-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 23141941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).