4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

C13H21BO5 — CID 138108111

IUPAC4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CO2)OCCO3)OC1(C)C
InChIInChI=1S/C13H21BO5/c1-11(2)12(3,4)19-14(18-11)10-5-6-13(9-15-10)16-7-8-17-13/h5H,6-9H2,1-4H3
InChIKeyLPSPHCQSTVLDCM-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.67
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (PubChem CID 138108111) has the molecular formula C13H21BO5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
PubChem CID138108111
Molecular FormulaC13H21BO5
Molecular Weight268.12 g/mol
Exact Mass268.15
IUPAC Name4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CO2)OCCO3)OC1(C)C
InChIInChI=1S/C13H21BO5/c1-11(2)12(3,4)19-14(18-11)10-5-6-13(9-15-10)16-7-8-17-13/h5H,6-9H2,1-4H3
InChIKeyLPSPHCQSTVLDCM-UHFFFAOYSA-N
XLogP1.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90456155
4,4,5,5-tetramethyl-2-(2-oxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 131289331
4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
CID 140813860
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 56973103
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 150464617
5-methyl-1-(2-methyloxiran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 171655934
4-methyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-oxa-4-azaspiro[5.5]undec-9-en-3-one
CID 176864516
4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane
CID 142729657
2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175968303
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol
CID 142308201
2-[4-(1,4-dioxaspiro[4.5]decan-8-ylmethylsulfonyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 147224499

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (CID 138108111) is 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC3(CO2)OCCO3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The InChIKey is LPSPHCQSTVLDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BO5/c1-11(2)12(3,4)19-14(18-11)10-5-6-13(9-15-10)16-7-8-17-13/h5H,6-9H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane has a molecular weight of 268.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1,4,9-trioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 138108111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).