2-(4-methylpentyl)oxaluminane

C10H21AlO — CID 87175694

IUPAC2-(4-methylpentyl)oxaluminane
SMILESCC(C)CCC[Al]1CCCCO1
InChIInChI=1S/C6H13.C4H8O.Al/c1-4-5-6(2)3;1-2-3-4-5;/h6H,1,4-5H2,2-3H3;1-4H2;/q;-1;+1
InChIKeyCYKVCJZKDHAZAN-UHFFFAOYSA-N
MW184.26 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-methylpentyl)oxaluminane

2-(4-methylpentyl)oxaluminane (PubChem CID 87175694) has the molecular formula C10H21AlO and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(4-methylpentyl)oxaluminane.

Molecular Properties

Compound Name2-(4-methylpentyl)oxaluminane
PubChem CID87175694
Molecular FormulaC10H21AlO
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-(4-methylpentyl)oxaluminane
SMILESCC(C)CCC[Al]1CCCCO1
InChIInChI=1S/C6H13.C4H8O.Al/c1-4-5-6(2)3;1-2-3-4-5;/h6H,1,4-5H2,2-3H3;1-4H2;/q;-1;+1
InChIKeyCYKVCJZKDHAZAN-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methylisobutylalumoxane
CID 86748138
Isobutylalumoxane
CID 87063602
t-Butylaluminoxane
CID 87070300
Isooctylaluminoxane
CID 129762757
Bis(2-methylpentyl)alumanylium;ethanolate
CID 21434185
2-Pentyloxaluminane
CID 87069930
2-(3-Methylbutyl)oxaluminane
CID 87069970
2-(2-Ethylhexyl)oxaluminane
CID 87071940
2-(2,3-Dimethylbutyl)oxaluminane
CID 87148594
2-(2,4,4-Trimethylpentyl)oxaluminane
CID 87148774
2-Pentan-2-yloxaluminane
CID 87172217
2-(3-Methylbutan-2-yl)oxaluminane
CID 87358960

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)oxaluminane?
The IUPAC name of 2-(4-methylpentyl)oxaluminane (CID 87175694) is 2-(4-methylpentyl)oxaluminane.
What is the SMILES notation for 2-(4-methylpentyl)oxaluminane?
The canonical SMILES for 2-(4-methylpentyl)oxaluminane is CC(C)CCC[Al]1CCCCO1.
What is the InChIKey of 2-(4-methylpentyl)oxaluminane?
The InChIKey is CYKVCJZKDHAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C4H8O.Al/c1-4-5-6(2)3;1-2-3-4-5;/h6H,1,4-5H2,2-3H3;1-4H2;/q;-1;+1.
What are the key properties of 2-(4-methylpentyl)oxaluminane?
2-(4-methylpentyl)oxaluminane has a molecular weight of 184.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)oxaluminane is sourced from PubChem (CID 87175694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).