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

C17H31BO4 — CID 142303134

IUPACethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
SMILESCC.CC1CC(B2OC(C)(C)C(C)(C)O2)=CCC12OCCO2
InChIInChI=1S/C15H25BO4.C2H6/c1-11-10-12(6-7-15(11)17-8-9-18-15)16-19-13(2,3)14(4,5)20-16;1-2/h6,11H,7-10H2,1-5H3;1-2H3
InChIKeyMCFXLFDBRPONPL-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.74
Rot. Bonds1

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

ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane (PubChem CID 142303134) has the molecular formula C17H31BO4 and a molecular weight of 310.24 g/mol. Its IUPAC name is ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
PubChem CID142303134
Molecular FormulaC17H31BO4
Molecular Weight310.24 g/mol
Exact Mass310.23
IUPAC Nameethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
SMILESCC.CC1CC(B2OC(C)(C)C(C)(C)O2)=CCC12OCCO2
InChIInChI=1S/C15H25BO4.C2H6/c1-11-10-12(6-7-15(11)17-8-9-18-15)16-19-13(2,3)14(4,5)20-16;1-2/h6,11H,7-10H2,1-5H3;1-2H3
InChIKeyMCFXLFDBRPONPL-UHFFFAOYSA-N
XLogP3.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane?
The IUPAC name of 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) is ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane?
The canonical SMILES for ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane is CC.CC1CC(B2OC(C)(C)C(C)(C)O2)=CCC12OCCO2.
What is the InChIKey of ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane?
The InChIKey is MCFXLFDBRPONPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO4.C2H6/c1-11-10-12(6-7-15(11)17-8-9-18-15)16-19-13(2,3)14(4,5)20-16;1-2/h6,11H,7-10H2,1-5H3;1-2H3.
What are the key properties of ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane?
ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane has a molecular weight of 310.24 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 142303134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).