2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H23BO4 — CID 142367064

IUPAC2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C=CC3(CC2)OCCO3)OC1(C)C
InChIInChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5,7,11H,6,8-10H2,1-4H3
InChIKeyLMSHJAXMKJREPR-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.54
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 142367064) has the molecular formula C14H23BO4 and a molecular weight of 266.15 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID142367064
Molecular FormulaC14H23BO4
Molecular Weight266.15 g/mol
Exact Mass266.17
IUPAC Name2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C=CC3(CC2)OCCO3)OC1(C)C
InChIInChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5,7,11H,6,8-10H2,1-4H3
InChIKeyLMSHJAXMKJREPR-UHFFFAOYSA-N
XLogP2.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene
CID 3697076
4,4,5,5-tetramethyl-2-[(Z)-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enyl]-1,3,2-dioxaborolane
CID 176427260
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
CID 45158874
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 89963451
2-(1,4-Dioxaspiro[4.5]dec-7-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90460669
2,2,3,3,10,10,11,11-Octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
CID 118300374
4,4,5,5-Tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane
CID 123333832
4,4,5,5-Tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 140851039
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
CID 144076561
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 153550007
2-(Cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,3-dioxolane
CID 157574987
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
CID 163370206

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 142367064) is 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2C=CC3(CC2)OCCO3)OC1(C)C.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LMSHJAXMKJREPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5,7,11H,6,8-10H2,1-4H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.15 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 142367064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).