alumane;2,4-dimethylpentane-2,4-diol

C7H19AlO2 — CID 175404238

IUPACalumane;2,4-dimethylpentane-2,4-diol
SMILESCC(C)(O)CC(C)(C)O.[AlH3]
InChIInChI=1S/C7H16O2.Al.3H/c1-6(2,8)5-7(3,4)9;;;;/h8-9H,5H2,1-4H3;;;;
InChIKeyPUQXMIKUCUGRIK-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.27
Rot. Bonds2

About alumane;2,4-dimethylpentane-2,4-diol

alumane;2,4-dimethylpentane-2,4-diol (PubChem CID 175404238) has the molecular formula C7H19AlO2 and a molecular weight of 162.21 g/mol. Its IUPAC name is alumane;2,4-dimethylpentane-2,4-diol.

Molecular Properties

Compound Namealumane;2,4-dimethylpentane-2,4-diol
PubChem CID175404238
Molecular FormulaC7H19AlO2
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Namealumane;2,4-dimethylpentane-2,4-diol
SMILESCC(C)(O)CC(C)(C)O.[AlH3]
InChIInChI=1S/C7H16O2.Al.3H/c1-6(2,8)5-7(3,4)9;;;;/h8-9H,5H2,1-4H3;;;;
InChIKeyPUQXMIKUCUGRIK-UHFFFAOYSA-N
XLogP-0.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

boric acid;bis(2,4-dimethylpentane-2,4-diol)
CID 158108058
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 146799424
(E)-2,7-dimethyloct-4-ene-2,7-diol
CID 6536882
2-amino-2,4-dimethylpentane-1,4-diol
CID 134172713
phosphoric acid;tris(2,4,4-trimethylpentan-2-ol)
CID 71361678
6-chloro-2,4,4-trimethylhexan-2-ol
CID 88929339
alumane;2-methylpropan-2-ol;hydrochloride
CID 174748525
5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
CID 15152905
4-(aminomethyl)-2,4-dimethylhexan-2-ol
CID 89363832
2,4,4,5-tetramethylheptan-2-ol
CID 123728080

Frequently Asked Questions

What is the IUPAC name of alumane;2,4-dimethylpentane-2,4-diol?
The IUPAC name of alumane;2,4-dimethylpentane-2,4-diol (CID 175404238) is alumane;2,4-dimethylpentane-2,4-diol.
What is the SMILES notation for alumane;2,4-dimethylpentane-2,4-diol?
The canonical SMILES for alumane;2,4-dimethylpentane-2,4-diol is CC(C)(O)CC(C)(C)O.[AlH3].
What is the InChIKey of alumane;2,4-dimethylpentane-2,4-diol?
The InChIKey is PUQXMIKUCUGRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.Al.3H/c1-6(2,8)5-7(3,4)9;;;;/h8-9H,5H2,1-4H3;;;;.
What are the key properties of alumane;2,4-dimethylpentane-2,4-diol?
alumane;2,4-dimethylpentane-2,4-diol has a molecular weight of 162.21 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,4-dimethylpentane-2,4-diol is sourced from PubChem (CID 175404238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).