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

C13H29BGeO2 — CID 86067040

IUPAC1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane
SMILESCCCCCCC(B1OCCCO1)[Ge](C)(C)C
InChIInChI=1S/C13H29BGeO2/c1-5-6-7-8-10-13(15(2,3)4)14-16-11-9-12-17-14/h13H,5-12H2,1-4H3
InChIKeyWECBXNNUEFBYPR-UHFFFAOYSA-N
MW300.80 g/mol
LogP4.13
Rot. Bonds7

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

1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane (PubChem CID 86067040) has the molecular formula C13H29BGeO2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane.

Molecular Properties

Compound Name1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane
PubChem CID86067040
Molecular FormulaC13H29BGeO2
Molecular Weight300.80 g/mol
Exact Mass302.15
IUPAC Name1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane
SMILESCCCCCCC(B1OCCCO1)[Ge](C)(C)C
InChIInChI=1S/C13H29BGeO2/c1-5-6-7-8-10-13(15(2,3)4)14-16-11-9-12-17-14/h13H,5-12H2,1-4H3
InChIKeyWECBXNNUEFBYPR-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 54.13
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)heptyl-trimethylgermane?
The IUPAC name of 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane (CID 86067040) is 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane.
What is the SMILES notation for 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane?
The canonical SMILES for 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane is CCCCCCC(B1OCCCO1)[Ge](C)(C)C.
What is the InChIKey of 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane?
The InChIKey is WECBXNNUEFBYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BGeO2/c1-5-6-7-8-10-13(15(2,3)4)14-16-11-9-12-17-14/h13H,5-12H2,1-4H3.
What are the key properties of 1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane?
1-(1,3,2-dioxaborinan-2-yl)heptyl-trimethylgermane has a molecular weight of 300.80 g/mol, XLogP of 4.13, 7 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)heptyl-trimethylgermane is sourced from PubChem (CID 86067040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).