1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane

C14H31BGeO2 — CID 86067045

IUPAC1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane
SMILESCCCCCCCC(B1OCCCO1)[Ge](C)(C)C
InChIInChI=1S/C14H31BGeO2/c1-5-6-7-8-9-11-14(16(2,3)4)15-17-12-10-13-18-15/h14H,5-13H2,1-4H3
InChIKeySXOZTVIUVXVHCO-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.52
Rot. Bonds8

About 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane

1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane (PubChem CID 86067045) has the molecular formula C14H31BGeO2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane.

Molecular Properties

Compound Name1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane
PubChem CID86067045
Molecular FormulaC14H31BGeO2
Molecular Weight314.82 g/mol
Exact Mass316.16
IUPAC Name1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane
SMILESCCCCCCCC(B1OCCCO1)[Ge](C)(C)C
InChIInChI=1S/C14H31BGeO2/c1-5-6-7-8-9-11-14(16(2,3)4)15-17-12-10-13-18-15/h14H,5-13H2,1-4H3
InChIKeySXOZTVIUVXVHCO-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane?
The IUPAC name of 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane (CID 86067045) is 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane.
What is the SMILES notation for 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane?
The canonical SMILES for 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane is CCCCCCCC(B1OCCCO1)[Ge](C)(C)C.
What is the InChIKey of 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane?
The InChIKey is SXOZTVIUVXVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BGeO2/c1-5-6-7-8-9-11-14(16(2,3)4)15-17-12-10-13-18-15/h14H,5-13H2,1-4H3.
What are the key properties of 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane?
1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane has a molecular weight of 314.82 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,2-dioxaborinan-2-yl)octyl-trimethylgermane is sourced from PubChem (CID 86067045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).