ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane

C11H25BO2 — CID 145413158

IUPACethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCC.CC1CC(C)(C)OB(C(C)C)O1
InChIInChI=1S/C9H19BO2.C2H6/c1-7(2)10-11-8(3)6-9(4,5)12-10;1-2/h7-8H,6H2,1-5H3;1-2H3
InChIKeyGZLKJAHJQSSFED-UHFFFAOYSA-N
MW200.13 g/mol
LogP3.51
Rot. Bonds1

About ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane

ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane (PubChem CID 145413158) has the molecular formula C11H25BO2 and a molecular weight of 200.13 g/mol. Its IUPAC name is ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane.

Molecular Properties

Compound Nameethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
PubChem CID145413158
Molecular FormulaC11H25BO2
Molecular Weight200.13 g/mol
Exact Mass200.19
IUPAC Nameethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCC.CC1CC(C)(C)OB(C(C)C)O1
InChIInChI=1S/C9H19BO2.C2H6/c1-7(2)10-11-8(3)6-9(4,5)12-10;1-2/h7-8H,6H2,1-5H3;1-2H3
InChIKeyGZLKJAHJQSSFED-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane)
CID 61764
4,4,6-Trimethyl-2-vinyl-1,3,2-dioxaborinane
CID 107310
2-Butoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 292718
2-Ethoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 12516399
2-Methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 15312439
2-Isopropoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 12493145
trans-5-Isopropyl-2,4-dimethyl-1,3,2-dioxaborinane
CID 129751404
4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL
CID 352515
CID 2760819
CID 2760819
4,4,6-Trimethyl-1,3,2-dioxaborinane
CID 6365038
4,4,6,6-Tetramethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157951
CID 53658756
CID 53658756

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The IUPAC name of ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane (CID 145413158) is ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane.
What is the SMILES notation for ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The canonical SMILES for ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane is CC.CC1CC(C)(C)OB(C(C)C)O1.
What is the InChIKey of ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The InChIKey is GZLKJAHJQSSFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2.C2H6/c1-7(2)10-11-8(3)6-9(4,5)12-10;1-2/h7-8H,6H2,1-5H3;1-2H3.
What are the key properties of ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane has a molecular weight of 200.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 145413158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).