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

C8H19BO2 — CID 153346336

IUPACethane;2,4,6-trimethyl-1,3,2-dioxaborinane
SMILESCB1OC(C)CC(C)O1.CC
InChIInChI=1S/C6H13BO2.C2H6/c1-5-4-6(2)9-7(3)8-5;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyFCVPHPKRUQVRJI-UHFFFAOYSA-N
MW158.05 g/mol
LogP2.34
Rot. Bonds

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

ethane;2,4,6-trimethyl-1,3,2-dioxaborinane (PubChem CID 153346336) has the molecular formula C8H19BO2 and a molecular weight of 158.05 g/mol. Its IUPAC name is ethane;2,4,6-trimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Nameethane;2,4,6-trimethyl-1,3,2-dioxaborinane
PubChem CID153346336
Molecular FormulaC8H19BO2
Molecular Weight158.05 g/mol
Exact Mass158.15
IUPAC Nameethane;2,4,6-trimethyl-1,3,2-dioxaborinane
SMILESCB1OC(C)CC(C)O1.CC
InChIInChI=1S/C6H13BO2.C2H6/c1-5-4-6(2)9-7(3)8-5;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyFCVPHPKRUQVRJI-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 52.34
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;2,4,6-trimethyl-1,3,2-dioxaborinane?
The IUPAC name of ethane;2,4,6-trimethyl-1,3,2-dioxaborinane (CID 153346336) is ethane;2,4,6-trimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for ethane;2,4,6-trimethyl-1,3,2-dioxaborinane?
The canonical SMILES for ethane;2,4,6-trimethyl-1,3,2-dioxaborinane is CB1OC(C)CC(C)O1.CC.
What is the InChIKey of ethane;2,4,6-trimethyl-1,3,2-dioxaborinane?
The InChIKey is FCVPHPKRUQVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO2.C2H6/c1-5-4-6(2)9-7(3)8-5;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2,4,6-trimethyl-1,3,2-dioxaborinane?
ethane;2,4,6-trimethyl-1,3,2-dioxaborinane has a molecular weight of 158.05 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6-trimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 153346336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).