[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane

C14H23BGeO2 — CID 53362517

IUPAC[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane
SMILESCC1(C)COB(c2ccccc2[Ge](C)(C)C)OC1
InChIInChI=1S/C14H23BGeO2/c1-14(2)10-17-15(18-11-14)12-8-6-7-9-13(12)16(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyRHAGLBMSFJXZQO-UHFFFAOYSA-N
MW306.76 g/mol
LogP2.00
Rot. Bonds2

About [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane

[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane (PubChem CID 53362517) has the molecular formula C14H23BGeO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane.

Molecular Properties

Compound Name[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane
PubChem CID53362517
Molecular FormulaC14H23BGeO2
Molecular Weight306.76 g/mol
Exact Mass308.10
IUPAC Name[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane
SMILESCC1(C)COB(c2ccccc2[Ge](C)(C)C)OC1
InChIInChI=1S/C14H23BGeO2/c1-14(2)10-17-15(18-11-14)12-8-6-7-9-13(12)16(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyRHAGLBMSFJXZQO-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 52.00
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 [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane?
The IUPAC name of [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane (CID 53362517) is [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane.
What is the SMILES notation for [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane?
The canonical SMILES for [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane is CC1(C)COB(c2ccccc2[Ge](C)(C)C)OC1.
What is the InChIKey of [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane?
The InChIKey is RHAGLBMSFJXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BGeO2/c1-14(2)10-17-15(18-11-14)12-8-6-7-9-13(12)16(3,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane?
[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane has a molecular weight of 306.76 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-trimethylgermane is sourced from PubChem (CID 53362517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).