8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C16H27BO2 — CID 59541838

IUPAC8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1(C)CB(C2=CCC3(CC2)OCCO3)CC1(C)C
InChIInChI=1S/C16H27BO2/c1-14(2)11-17(12-15(14,3)4)13-5-7-16(8-6-13)18-9-10-19-16/h5H,6-12H2,1-4H3
InChIKeyRCPCFPXAUHONSU-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.94
Rot. Bonds1

About 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 59541838) has the molecular formula C16H27BO2 and a molecular weight of 262.20 g/mol. Its IUPAC name is 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID59541838
Molecular FormulaC16H27BO2
Molecular Weight262.20 g/mol
Exact Mass262.21
IUPAC Name8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1(C)CB(C2=CCC3(CC2)OCCO3)CC1(C)C
InChIInChI=1S/C16H27BO2/c1-14(2)11-17(12-15(14,3)4)13-5-7-16(8-6-13)18-9-10-19-16/h5H,6-12H2,1-4H3
InChIKeyRCPCFPXAUHONSU-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
6,6-Dimethyl-1,4-dioxa-spiro[4.5]dec-7-ene
CID 559650
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
CID 45158874
2-(1,4-Dioxaspiro[4.5]dec-7-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90460669
4,4,5,5-Tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
CID 140851036
4,4,5,5-Tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 140851039
3,3-Dimethylbutan-2-yloxy(1,4-dioxaspiro[4.5]dec-7-en-8-yl)borinic acid
CID 141702994
Ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
CID 142303134
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyloxaborolane
CID 142942223
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
4-Butan-2-yl-2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,5,5-trimethyl-1,3,2-dioxaborolane
CID 155746312

Frequently Asked Questions

What is the IUPAC name of 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 59541838) is 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene is CC1(C)CB(C2=CCC3(CC2)OCCO3)CC1(C)C.
What is the InChIKey of 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is RCPCFPXAUHONSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BO2/c1-14(2)11-17(12-15(14,3)4)13-5-7-16(8-6-13)18-9-10-19-16/h5H,6-12H2,1-4H3.
What are the key properties of 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 262.20 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3,4,4-tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 59541838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).