2,3-dimethylheptylalumane

C27H63Al3 — CID 175084040

IUPAC2,3-dimethylheptylalumane
SMILESCCCCC(C)C(C)C[AlH2].CCCCC(C)C(C)C[AlH2].CCCCC(C)C(C)C[AlH2]
InChIInChI=1S/3C9H19.3Al.6H/c3*1-5-6-7-9(4)8(2)3;;;;;;;;;/h3*8-9H,2,5-7H2,1,3-4H3;;;;;;;;;
InChIKeySFDDKMBZFMGIHI-UHFFFAOYSA-N
MW468.75 g/mol
LogP7.50
Rot. Bonds15

About 2,3-dimethylheptylalumane

2,3-dimethylheptylalumane (PubChem CID 175084040) has the molecular formula C27H63Al3 and a molecular weight of 468.75 g/mol. Its IUPAC name is 2,3-dimethylheptylalumane.

Molecular Properties

Compound Name2,3-dimethylheptylalumane
PubChem CID175084040
Molecular FormulaC27H63Al3
Molecular Weight468.75 g/mol
Exact Mass468.44
IUPAC Name2,3-dimethylheptylalumane
SMILESCCCCC(C)C(C)C[AlH2].CCCCC(C)C(C)C[AlH2].CCCCC(C)C(C)C[AlH2]
InChIInChI=1S/3C9H19.3Al.6H/c3*1-5-6-7-9(4)8(2)3;;;;;;;;;/h3*8-9H,2,5-7H2,1,3-4H3;;;;;;;;;
InChIKeySFDDKMBZFMGIHI-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(10S,11S)-10,11-dimethylicosane
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11,12-dimethyloctacosane
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11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylheptane;ethane
CID 156648444
4,5-dimethylnonadecane
CID 123321090

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylheptylalumane?
The IUPAC name of 2,3-dimethylheptylalumane (CID 175084040) is 2,3-dimethylheptylalumane.
What is the SMILES notation for 2,3-dimethylheptylalumane?
The canonical SMILES for 2,3-dimethylheptylalumane is CCCCC(C)C(C)C[AlH2].CCCCC(C)C(C)C[AlH2].CCCCC(C)C(C)C[AlH2].
What is the InChIKey of 2,3-dimethylheptylalumane?
The InChIKey is SFDDKMBZFMGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19.3Al.6H/c3*1-5-6-7-9(4)8(2)3;;;;;;;;;/h3*8-9H,2,5-7H2,1,3-4H3;;;;;;;;;.
What are the key properties of 2,3-dimethylheptylalumane?
2,3-dimethylheptylalumane has a molecular weight of 468.75 g/mol, XLogP of 7.50, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylheptylalumane is sourced from PubChem (CID 175084040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).