tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane

C66H150Al6 — CID 174528139

IUPACtributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.CC(C)[Al](C(C)C)C(C)C.CCCCCC[Al](CCCCCC)CCCCCC.CCCC[Al](CCCC)CCCC.CCC[Al](CCC)CCC.CC[Al](CC)CC
InChIInChI=1S/3C6H13.6C4H9.6C3H7.3C2H5.6Al/c3*1-3-5-6-4-2;3*1-4(2)3;3*1-3-4-2;6*1-3-2;3*1-2;;;;;;/h3*1,3-6H2,2H3;3*4H,1H2,2-3H3;3*1,3-4H2,2H3;3*3H,1-2H3;3*1,3H2,2H3;3*1H2,2H3;;;;;;
InChIKeyDKYMDNGPYDLSNY-UHFFFAOYSA-N
MW1105.82 g/mol
LogP26.52
Rot. Bonds42

About tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane

tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane (PubChem CID 174528139) has the molecular formula C66H150Al6 and a molecular weight of 1105.82 g/mol. Its IUPAC name is tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane.

Molecular Properties

Compound Nametributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane
PubChem CID174528139
Molecular FormulaC66H150Al6
Molecular Weight1105.82 g/mol
Exact Mass1105.06
IUPAC Nametributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.CC(C)[Al](C(C)C)C(C)C.CCCCCC[Al](CCCCCC)CCCCCC.CCCC[Al](CCCC)CCCC.CCC[Al](CCC)CCC.CC[Al](CC)CC
InChIInChI=1S/3C6H13.6C4H9.6C3H7.3C2H5.6Al/c3*1-3-5-6-4-2;3*1-4(2)3;3*1-3-4-2;6*1-3-2;3*1-2;;;;;;/h3*1,3-6H2,2H3;3*4H,1H2,2-3H3;3*1,3-4H2,2H3;3*3H,1-2H3;3*1,3H2,2H3;3*1H2,2H3;;;;;;
InChIKeyDKYMDNGPYDLSNY-UHFFFAOYSA-N
XLogP26.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds42
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.82
LogP ≤ 526.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triethylalumane;trioctylalumane
CID 158774524
lithium butyl-bis(2-methylpropyl)alumane
CID 16714974
heptane;trihexylalumane
CID 22011139
dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride
CID 21258677
8-methylnonyl-bis(2-methylpropyl)alumane
CID 173009634
tris(7-methyloctyl)alumane
CID 156702571
8-[8-dimethylsilyloctyl(9-methyldecyl)alumanyl]octyl-dimethylsilane;hexyl(dimethyl)silane;methanol
CID 158409046
diethylalumanylium;tridodecylalumane;chloride
CID 87488123
tripropylalumane
CID 16683069
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane?
The IUPAC name of tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane (CID 174528139) is tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane.
What is the SMILES notation for tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane?
The canonical SMILES for tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)CC(C)C.CC(C)[Al](C(C)C)C(C)C.CCCCCC[Al](CCCCCC)CCCCCC.CCCC[Al](CCCC)CCCC.CCC[Al](CCC)CCC.CC[Al](CC)CC.
What is the InChIKey of tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane?
The InChIKey is DKYMDNGPYDLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13.6C4H9.6C3H7.3C2H5.6Al/c3*1-3-5-6-4-2;3*1-4(2)3;3*1-3-4-2;6*1-3-2;3*1-2;;;;;;/h3*1,3-6H2,2H3;3*4H,1H2,2-3H3;3*1,3-4H2,2H3;3*3H,1-2H3;3*1,3H2,2H3;3*1H2,2H3;;;;;;.
What are the key properties of tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane?
tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane has a molecular weight of 1105.82 g/mol, XLogP of 26.52, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane is sourced from PubChem (CID 174528139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).