2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane

C63H133B7O7 — CID 161379285

IUPAC2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane
SMILESCC(C)(C)B1CC(C)(C)C(C)(C)O1.CC(C)(C)B1CCCCO1.CC(C)(C)B1CCCO1.CC1(C)CCB(C(C)(C)C)OC1.CC1CB(C(C)(C)C)OC(C)C1.CC1CB(C(C)(C)C)OC1C.CC1COB(C(C)(C)C)C1
InChIInChI=1S/C11H23BO.2C10H21BO.C9H19BO.2C8H17BO.C7H15BO/c1-9(2,3)12-8-10(4,5)11(6,7)13-12;1-8-6-9(2)12-11(7-8)10(3,4)5;1-9(2,3)11-7-6-10(4,5)8-12-11;1-7-6-10(9(3,4)5)11-8(7)2;1-7-5-9(10-6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-10-9;1-7(2,3)8-5-4-6-9-8/h8H2,1-7H3;8-9H,6-7H2,1-5H3;6-8H2,1-5H3;7-8H,6H2,1-5H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyVRMSVNNRAZYOCW-UHFFFAOYSA-N
MW1078.43 g/mol
LogP20.12
Rot. Bonds

About 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane

2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane (PubChem CID 161379285) has the molecular formula C63H133B7O7 and a molecular weight of 1078.43 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane.

Molecular Properties

Compound Name2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane
PubChem CID161379285
Molecular FormulaC63H133B7O7
Molecular Weight1078.43 g/mol
Exact Mass1079.07
IUPAC Name2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane
SMILESCC(C)(C)B1CC(C)(C)C(C)(C)O1.CC(C)(C)B1CCCCO1.CC(C)(C)B1CCCO1.CC1(C)CCB(C(C)(C)C)OC1.CC1CB(C(C)(C)C)OC(C)C1.CC1CB(C(C)(C)C)OC1C.CC1COB(C(C)(C)C)C1
InChIInChI=1S/C11H23BO.2C10H21BO.C9H19BO.2C8H17BO.C7H15BO/c1-9(2,3)12-8-10(4,5)11(6,7)13-12;1-8-6-9(2)12-11(7-8)10(3,4)5;1-9(2,3)11-7-6-10(4,5)8-12-11;1-7-6-10(9(3,4)5)11-8(7)2;1-7-5-9(10-6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-10-9;1-7(2,3)8-5-4-6-9-8/h8H2,1-7H3;8-9H,6-7H2,1-5H3;6-8H2,1-5H3;7-8H,6H2,1-5H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyVRMSVNNRAZYOCW-UHFFFAOYSA-N
XLogP20.12
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.43
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane with MolForge

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Related Compounds

2-Tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159325778
2-Tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
CID 162129447

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane?
The IUPAC name of 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane (CID 161379285) is 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane.
What is the SMILES notation for 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane?
The canonical SMILES for 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane is CC(C)(C)B1CC(C)(C)C(C)(C)O1.CC(C)(C)B1CCCCO1.CC(C)(C)B1CCCO1.CC1(C)CCB(C(C)(C)C)OC1.CC1CB(C(C)(C)C)OC(C)C1.CC1CB(C(C)(C)C)OC1C.CC1COB(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane?
The InChIKey is VRMSVNNRAZYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO.2C10H21BO.C9H19BO.2C8H17BO.C7H15BO/c1-9(2,3)12-8-10(4,5)11(6,7)13-12;1-8-6-9(2)12-11(7-8)10(3,4)5;1-9(2,3)11-7-6-10(4,5)8-12-11;1-7-6-10(9(3,4)5)11-8(7)2;1-7-5-9(10-6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-10-9;1-7(2,3)8-5-4-6-9-8/h8H2,1-7H3;8-9H,6-7H2,1-5H3;6-8H2,1-5H3;7-8H,6H2,1-5H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane?
2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane has a molecular weight of 1078.43 g/mol, XLogP of 20.12, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dimethyloxaborinane;2-tert-butyl-5,5-dimethyloxaborinane;2-tert-butyl-4,5-dimethyloxaborolane;2-tert-butyl-4-methyloxaborolane;2-tert-butyloxaborinane;2-tert-butyloxaborolane;2-tert-butyl-4,4,5,5-tetramethyloxaborolane is sourced from PubChem (CID 161379285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).