2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane

C15H32B2O4 — CID 167588217

IUPAC2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
SMILESCC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OCCCO1
InChIInChI=1S/C9H19BO2.C6H13BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10;1-6(2)7-8-4-3-5-9-7/h7H,1-6H3;6H,3-5H2,1-2H3
InChIKeyIBPOBQWGZXQLCR-UHFFFAOYSA-N
MW298.04 g/mol
LogP3.81
Rot. Bonds2

About 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane

2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane (PubChem CID 167588217) has the molecular formula C15H32B2O4 and a molecular weight of 298.04 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
PubChem CID167588217
Molecular FormulaC15H32B2O4
Molecular Weight298.04 g/mol
Exact Mass298.25
IUPAC Name2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
SMILESCC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OCCCO1
InChIInChI=1S/C9H19BO2.C6H13BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10;1-6(2)7-8-4-3-5-9-7/h7H,1-6H3;6H,3-5H2,1-2H3
InChIKeyIBPOBQWGZXQLCR-UHFFFAOYSA-N
XLogP3.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 53.81
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

2,2,3,3-Tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
CID 59259707
5,5-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 91344574
2-[2-(2,4,5,5-Tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane
CID 123889351
Dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 143456732
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
CID 143777323
2-Tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157132004
2-Tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborolane;ethane
CID 157224406
Methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157235360
Ethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157276718
2-Methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157377810
Methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157398146
CID 157708394
CID 157708394

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
The IUPAC name of 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane (CID 167588217) is 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
The canonical SMILES for 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane is CC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OCCCO1.
What is the InChIKey of 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
The InChIKey is IBPOBQWGZXQLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2.C6H13BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10;1-6(2)7-8-4-3-5-9-7/h7H,1-6H3;6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane has a molecular weight of 298.04 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 167588217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).