ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane

C9H21BO2 — CID 143798610

IUPACethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
SMILESCB1OC(C)CC(C)(C)O1.CC
InChIInChI=1S/C7H15BO2.C2H6/c1-6-5-7(2,3)10-8(4)9-6;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyYOZYZGACNNIVFD-UHFFFAOYSA-N
MW172.08 g/mol
LogP2.73
Rot. Bonds

About ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane

ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane (PubChem CID 143798610) has the molecular formula C9H21BO2 and a molecular weight of 172.08 g/mol. Its IUPAC name is ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Nameethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
PubChem CID143798610
Molecular FormulaC9H21BO2
Molecular Weight172.08 g/mol
Exact Mass172.16
IUPAC Nameethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
SMILESCB1OC(C)CC(C)(C)O1.CC
InChIInChI=1S/C7H15BO2.C2H6/c1-6-5-7(2,3)10-8(4)9-6;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyYOZYZGACNNIVFD-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 52.73
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;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?
The IUPAC name of ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane (CID 143798610) is ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane.
What is the SMILES notation for ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?
The canonical SMILES for ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane is CB1OC(C)CC(C)(C)O1.CC.
What is the InChIKey of ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?
The InChIKey is YOZYZGACNNIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C2H6/c1-6-5-7(2,3)10-8(4)9-6;1-2/h6H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?
ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane has a molecular weight of 172.08 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 143798610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).