ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane

C12H25BO2 — CID 153403088

IUPACethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
SMILESCC.CC(C)=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2.C2H6/c1-8(2)7-11-12-9(3,4)10(5,6)13-11;1-2/h7H,1-6H3;1-2H3
InChIKeyVZTRNGOPVLFGQV-UHFFFAOYSA-N
MW212.14 g/mol
LogP3.61
Rot. Bonds1

About ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane

ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane (PubChem CID 153403088) has the molecular formula C12H25BO2 and a molecular weight of 212.14 g/mol. Its IUPAC name is ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
PubChem CID153403088
Molecular FormulaC12H25BO2
Molecular Weight212.14 g/mol
Exact Mass212.19
IUPAC Nameethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
SMILESCC.CC(C)=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2.C2H6/c1-8(2)7-11-12-9(3,4)10(5,6)13-11;1-2/h7H,1-6H3;1-2H3
InChIKeyVZTRNGOPVLFGQV-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methylprop-1-enyl)-1,3,2-dioxaborolane?
The IUPAC name of ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane (CID 153403088) is ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane is CC.CC(C)=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane?
The InChIKey is VZTRNGOPVLFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO2.C2H6/c1-8(2)7-11-12-9(3,4)10(5,6)13-11;1-2/h7H,1-6H3;1-2H3.
What are the key properties of ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane?
ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane has a molecular weight of 212.14 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 153403088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).