alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

C6H17AlO3 — CID 175039702

IUPACalumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CO.[AlH3]
InChIInChI=1S/C6H14O3.Al.3H/c1-2-6(3-7,4-8)5-9;;;;/h7-9H,2-5H2,1H3;;;;
InChIKeyAUSVWEVWZRDBRE-UHFFFAOYSA-N
MW164.18 g/mol
LogP-1.82
Rot. Bonds4

About alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 175039702) has the molecular formula C6H17AlO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Namealumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID175039702
Molecular FormulaC6H17AlO3
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Namealumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CO.[AlH3]
InChIInChI=1S/C6H14O3.Al.3H/c1-2-6(3-7,4-8)5-9;;;;/h7-9H,2-5H2,1H3;;;;
InChIKeyAUSVWEVWZRDBRE-UHFFFAOYSA-N
XLogP-1.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
CID 87987203
CID 87987203
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 159069506
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 87346314
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;methylphosphonic acid
CID 89315364
2-ethyl-2-(hydroxymethyl)propane-1,3-diol trinitrate
CID 23002731
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
CID 174496072

Frequently Asked Questions

What is the IUPAC name of alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 175039702) is alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is CCC(CO)(CO)CO.[AlH3].
What is the InChIKey of alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is AUSVWEVWZRDBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.Al.3H/c1-2-6(3-7,4-8)5-9;;;;/h7-9H,2-5H2,1H3;;;;.
What are the key properties of alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 164.18 g/mol, XLogP of -1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 175039702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).