decyl-di(propan-2-yloxy)alumane

C16H35AlO2 — CID 141398006

IUPACdecyl-di(propan-2-yloxy)alumane
SMILESCCCCCCCCCC[Al](OC(C)C)OC(C)C
InChIInChI=1S/C10H21.2C3H7O.Al/c1-3-5-7-9-10-8-6-4-2;2*1-3(2)4;/h1,3-10H2,2H3;2*3H,1-2H3;/q;2*-1;+2
InChIKeyRPTFWXJGBJVABF-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.47
Rot. Bonds13

About decyl-di(propan-2-yloxy)alumane

decyl-di(propan-2-yloxy)alumane (PubChem CID 141398006) has the molecular formula C16H35AlO2 and a molecular weight of 286.44 g/mol. Its IUPAC name is decyl-di(propan-2-yloxy)alumane.

Molecular Properties

Compound Namedecyl-di(propan-2-yloxy)alumane
PubChem CID141398006
Molecular FormulaC16H35AlO2
Molecular Weight286.44 g/mol
Exact Mass286.25
IUPAC Namedecyl-di(propan-2-yloxy)alumane
SMILESCCCCCCCCCC[Al](OC(C)C)OC(C)C
InChIInChI=1S/C10H21.2C3H7O.Al/c1-3-5-7-9-10-8-6-4-2;2*1-3(2)4;/h1,3-10H2,2H3;2*3H,1-2H3;/q;2*-1;+2
InChIKeyRPTFWXJGBJVABF-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;hexane;2-propan-2-yloxypropane
CID 87119579
decane;ruthenium
CID 160818595
heptane;trihexylalumane
CID 22011139
ethane;heptane;2-methylpropane
CID 167499531
1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
CID 139905093
dihexyl-[1-(oxan-4-yl)ethoxy]alumane
CID 139905185
dimethyl(nonadecyl)alumane
CID 142743873
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of decyl-di(propan-2-yloxy)alumane?
The IUPAC name of decyl-di(propan-2-yloxy)alumane (CID 141398006) is decyl-di(propan-2-yloxy)alumane.
What is the SMILES notation for decyl-di(propan-2-yloxy)alumane?
The canonical SMILES for decyl-di(propan-2-yloxy)alumane is CCCCCCCCCC[Al](OC(C)C)OC(C)C.
What is the InChIKey of decyl-di(propan-2-yloxy)alumane?
The InChIKey is RPTFWXJGBJVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21.2C3H7O.Al/c1-3-5-7-9-10-8-6-4-2;2*1-3(2)4;/h1,3-10H2,2H3;2*3H,1-2H3;/q;2*-1;+2.
What are the key properties of decyl-di(propan-2-yloxy)alumane?
decyl-di(propan-2-yloxy)alumane has a molecular weight of 286.44 g/mol, XLogP of 5.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-di(propan-2-yloxy)alumane is sourced from PubChem (CID 141398006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).