(2-methyl-3-octylundecan-2-yl)oxyalumane

C20H43AlO — CID 173044402

IUPAC(2-methyl-3-octylundecan-2-yl)oxyalumane
SMILESCCCCCCCCC(CCCCCCCC)C(C)(C)O[AlH2]
InChIInChI=1S/C20H41O.Al.2H/c1-5-7-9-11-13-15-17-19(20(3,4)21)18-16-14-12-10-8-6-2;;;/h19H,5-18H2,1-4H3;;;/q-1;+1;;
InChIKeyQEGUGFLGSZEVEM-UHFFFAOYSA-N
MW326.55 g/mol
LogP6.45
Rot. Bonds16

About (2-methyl-3-octylundecan-2-yl)oxyalumane

(2-methyl-3-octylundecan-2-yl)oxyalumane (PubChem CID 173044402) has the molecular formula C20H43AlO and a molecular weight of 326.55 g/mol. Its IUPAC name is (2-methyl-3-octylundecan-2-yl)oxyalumane.

Molecular Properties

Compound Name(2-methyl-3-octylundecan-2-yl)oxyalumane
PubChem CID173044402
Molecular FormulaC20H43AlO
Molecular Weight326.55 g/mol
Exact Mass326.31
IUPAC Name(2-methyl-3-octylundecan-2-yl)oxyalumane
SMILESCCCCCCCCC(CCCCCCCC)C(C)(C)O[AlH2]
InChIInChI=1S/C20H41O.Al.2H/c1-5-7-9-11-13-15-17-19(20(3,4)21)18-16-14-12-10-8-6-2;;;/h19H,5-18H2,1-4H3;;;/q-1;+1;;
InChIKeyQEGUGFLGSZEVEM-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-tert-butyldecane-1-thiol
CID 88900785
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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-octylundecan-2-yl)oxyalumane?
The IUPAC name of (2-methyl-3-octylundecan-2-yl)oxyalumane (CID 173044402) is (2-methyl-3-octylundecan-2-yl)oxyalumane.
What is the SMILES notation for (2-methyl-3-octylundecan-2-yl)oxyalumane?
The canonical SMILES for (2-methyl-3-octylundecan-2-yl)oxyalumane is CCCCCCCCC(CCCCCCCC)C(C)(C)O[AlH2].
What is the InChIKey of (2-methyl-3-octylundecan-2-yl)oxyalumane?
The InChIKey is QEGUGFLGSZEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41O.Al.2H/c1-5-7-9-11-13-15-17-19(20(3,4)21)18-16-14-12-10-8-6-2;;;/h19H,5-18H2,1-4H3;;;/q-1;+1;;.
What are the key properties of (2-methyl-3-octylundecan-2-yl)oxyalumane?
(2-methyl-3-octylundecan-2-yl)oxyalumane has a molecular weight of 326.55 g/mol, XLogP of 6.45, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-octylundecan-2-yl)oxyalumane is sourced from PubChem (CID 173044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).