2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane

C15H25BO3 — CID 142942223

IUPAC2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane
SMILESCC1(C)CB(C2=CCC3(CC2)OCCO3)OC1(C)C
InChIInChI=1S/C15H25BO3/c1-13(2)11-16(19-14(13,3)4)12-5-7-15(8-6-12)17-9-10-18-15/h5H,6-11H2,1-4H3
InChIKeyHTNSHGJVEOKLNP-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.21
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane

2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane (PubChem CID 142942223) has the molecular formula C15H25BO3 and a molecular weight of 264.17 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane
PubChem CID142942223
Molecular FormulaC15H25BO3
Molecular Weight264.17 g/mol
Exact Mass264.19
IUPAC Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane
SMILESCC1(C)CB(C2=CCC3(CC2)OCCO3)OC1(C)C
InChIInChI=1S/C15H25BO3/c1-13(2)11-16(19-14(13,3)4)12-5-7-15(8-6-12)17-9-10-18-15/h5H,6-11H2,1-4H3
InChIKeyHTNSHGJVEOKLNP-UHFFFAOYSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane (CID 142942223) is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane is CC1(C)CB(C2=CCC3(CC2)OCCO3)OC1(C)C.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane?
The InChIKey is HTNSHGJVEOKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO3/c1-13(2)11-16(19-14(13,3)4)12-5-7-15(8-6-12)17-9-10-18-15/h5H,6-11H2,1-4H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane?
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane has a molecular weight of 264.17 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane is sourced from PubChem (CID 142942223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).