alumane;2-methylpropyl 2-ethylhexanoate

C12H27AlO2 — CID 174410098

IUPACalumane;2-methylpropyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC(C)C.[AlH3]
InChIInChI=1S/C12H24O2.Al.3H/c1-5-7-8-11(6-2)12(13)14-9-10(3)4;;;;/h10-11H,5-9H2,1-4H3;;;;
InChIKeyAGLCRJSRHMILAH-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.22
Rot. Bonds7

About alumane;2-methylpropyl 2-ethylhexanoate

alumane;2-methylpropyl 2-ethylhexanoate (PubChem CID 174410098) has the molecular formula C12H27AlO2 and a molecular weight of 230.33 g/mol. Its IUPAC name is alumane;2-methylpropyl 2-ethylhexanoate.

Molecular Properties

Compound Namealumane;2-methylpropyl 2-ethylhexanoate
PubChem CID174410098
Molecular FormulaC12H27AlO2
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Namealumane;2-methylpropyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC(C)C.[AlH3]
InChIInChI=1S/C12H24O2.Al.3H/c1-5-7-8-11(6-2)12(13)14-9-10(3)4;;;;/h10-11H,5-9H2,1-4H3;;;;
InChIKeyAGLCRJSRHMILAH-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2-methylpropyl 2-ethylnonanoate
CID 175297252
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
[5-(2-ethylhexanoyloxy)-2,4-dimethylpentyl] 2-ethylhexanoate
CID 139749095
[2-[(2R)-2-ethylhexanoyl]oxy-3-[(2S)-2-ethylhexanoyl]oxypropyl] (2R)-2-ethylhexanoate
CID 73416086
2-heptylundecyl 2-ethylhexanoate
CID 88536856
2-pentylundecyl 2-ethylhexanoate
CID 11462797
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
bis(2-methylpropyl) 2-butylpropanedioate
CID 141396067
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842

Frequently Asked Questions

What is the IUPAC name of alumane;2-methylpropyl 2-ethylhexanoate?
The IUPAC name of alumane;2-methylpropyl 2-ethylhexanoate (CID 174410098) is alumane;2-methylpropyl 2-ethylhexanoate.
What is the SMILES notation for alumane;2-methylpropyl 2-ethylhexanoate?
The canonical SMILES for alumane;2-methylpropyl 2-ethylhexanoate is CCCCC(CC)C(=O)OCC(C)C.[AlH3].
What is the InChIKey of alumane;2-methylpropyl 2-ethylhexanoate?
The InChIKey is AGLCRJSRHMILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.Al.3H/c1-5-7-8-11(6-2)12(13)14-9-10(3)4;;;;/h10-11H,5-9H2,1-4H3;;;;.
What are the key properties of alumane;2-methylpropyl 2-ethylhexanoate?
alumane;2-methylpropyl 2-ethylhexanoate has a molecular weight of 230.33 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-methylpropyl 2-ethylhexanoate is sourced from PubChem (CID 174410098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).