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

C12H27BGeO2 — CID 86067037

IUPAC1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane
SMILESCCCCCC(B1OCCCO1)[Ge](C)(C)C
InChIInChI=1S/C12H27BGeO2/c1-5-6-7-9-12(14(2,3)4)13-15-10-8-11-16-13/h12H,5-11H2,1-4H3
InChIKeyJLKQKCLVCDCVIA-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.74
Rot. Bonds6

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

1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane (PubChem CID 86067037) has the molecular formula C12H27BGeO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane.

Molecular Properties

Compound Name1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane
PubChem CID86067037
Molecular FormulaC12H27BGeO2
Molecular Weight286.77 g/mol
Exact Mass288.13
IUPAC Name1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane
SMILESCCCCCC(B1OCCCO1)[Ge](C)(C)C
InChIInChI=1S/C12H27BGeO2/c1-5-6-7-9-12(14(2,3)4)13-15-10-8-11-16-13/h12H,5-11H2,1-4H3
InChIKeyJLKQKCLVCDCVIA-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.74
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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Related Compounds

2-propan-2-yl-1,3,2-dioxaborinane
CID 5326212
2-dodecan-5-yl-1,3-dioxane
CID 174238614
2-butoxy-1,3,2-dioxaborinane
CID 19598588
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
2-(1-fluorohexyl)oxirane;oxetane
CID 21411185
2-(2-octyldecyl)-1,3-dioxolane
CID 68995066
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
dodecan-2-yl(trimethyl)silane
CID 11425039
tritriacontane-16,17-diamine
CID 57106039
2-methylnonane;heptahydrofluoride
CID 160801749
hexadecane-6,7-diamine
CID 57245820

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane?
The IUPAC name of 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane (CID 86067037) is 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane.
What is the SMILES notation for 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane?
The canonical SMILES for 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane is CCCCCC(B1OCCCO1)[Ge](C)(C)C.
What is the InChIKey of 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane?
The InChIKey is JLKQKCLVCDCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BGeO2/c1-5-6-7-9-12(14(2,3)4)13-15-10-8-11-16-13/h12H,5-11H2,1-4H3.
What are the key properties of 1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane?
1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane has a molecular weight of 286.77 g/mol, XLogP of 3.74, 6 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)hexyl-trimethylgermane is sourced from PubChem (CID 86067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).