2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane

C9H18BO4- — CID 59259707

IUPAC2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
SMILESCC1(C)O[B-]2(COCCO2)OC1(C)C
InChIInChI=1S/C9H18BO4/c1-8(2)9(3,4)14-10(13-8)7-11-5-6-12-10/h5-7H2,1-4H3/q-1
InChIKeySCPAVTVXLYNVHO-UHFFFAOYSA-N
MW201.05 g/mol
LogP1.12
Rot. Bonds

About 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane

2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane (PubChem CID 59259707) has the molecular formula C9H18BO4- and a molecular weight of 201.05 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
PubChem CID59259707
Molecular FormulaC9H18BO4-
Molecular Weight201.05 g/mol
Exact Mass201.13
IUPAC Name2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
SMILESCC1(C)O[B-]2(COCCO2)OC1(C)C
InChIInChI=1S/C9H18BO4/c1-8(2)9(3,4)14-10(13-8)7-11-5-6-12-10/h5-7H2,1-4H3/q-1
InChIKeySCPAVTVXLYNVHO-UHFFFAOYSA-N
XLogP1.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Tert-butoxy)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101365439
2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 21057643
2-(5,6-Dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 24970653
2-(2-Methoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221144
2-(3-Ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319033
2-(1,4-Dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130067615
2-[(2-Methoxyethoxy)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162415218
2-(Butoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177850385
2-(2-Ethoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57361442
2-(Ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59759258
2-(3-Methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71172941
Sodium 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
CID 87486221

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane?
The IUPAC name of 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane (CID 59259707) is 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane.
What is the SMILES notation for 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane?
The canonical SMILES for 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane is CC1(C)O[B-]2(COCCO2)OC1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane?
The InChIKey is SCPAVTVXLYNVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BO4/c1-8(2)9(3,4)14-10(13-8)7-11-5-6-12-10/h5-7H2,1-4H3/q-1.
What are the key properties of 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane?
2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane has a molecular weight of 201.05 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane is sourced from PubChem (CID 59259707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).