alumane;2,2-dimethylpropan-1-ol

C5H15AlO — CID 174479314

IUPACalumane;2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO.[AlH3]
InChIInChI=1S/C5H12O.Al.3H/c1-5(2,3)4-6;;;;/h6H,4H2,1-3H3;;;;
InChIKeyFGJWHEUCHFBMBJ-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.16
Rot. Bonds

About alumane;2,2-dimethylpropan-1-ol

alumane;2,2-dimethylpropan-1-ol (PubChem CID 174479314) has the molecular formula C5H15AlO and a molecular weight of 118.16 g/mol. Its IUPAC name is alumane;2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Namealumane;2,2-dimethylpropan-1-ol
PubChem CID174479314
Molecular FormulaC5H15AlO
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Namealumane;2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO.[AlH3]
InChIInChI=1S/C5H12O.Al.3H/c1-5(2,3)4-6;;;;/h6H,4H2,1-3H3;;;;
InChIKeyFGJWHEUCHFBMBJ-UHFFFAOYSA-N
XLogP-0.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of alumane;2,2-dimethylpropan-1-ol?
The IUPAC name of alumane;2,2-dimethylpropan-1-ol (CID 174479314) is alumane;2,2-dimethylpropan-1-ol.
What is the SMILES notation for alumane;2,2-dimethylpropan-1-ol?
The canonical SMILES for alumane;2,2-dimethylpropan-1-ol is CC(C)(C)CO.[AlH3].
What is the InChIKey of alumane;2,2-dimethylpropan-1-ol?
The InChIKey is FGJWHEUCHFBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Al.3H/c1-5(2,3)4-6;;;;/h6H,4H2,1-3H3;;;;.
What are the key properties of alumane;2,2-dimethylpropan-1-ol?
alumane;2,2-dimethylpropan-1-ol has a molecular weight of 118.16 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,2-dimethylpropan-1-ol is sourced from PubChem (CID 174479314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).