tert-butyl bis(2-methylpropyl)alumanylformate

C13H27AlO2 — CID 160614429

IUPACtert-butyl bis(2-methylpropyl)alumanylformate
SMILESCC(C)C[Al](CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C5H9O2.2C4H9.Al/c1-5(2,3)7-4-6;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;
InChIKeyCPTXEBFRAQHGEU-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.31
Rot. Bonds5

About tert-butyl bis(2-methylpropyl)alumanylformate

tert-butyl bis(2-methylpropyl)alumanylformate (PubChem CID 160614429) has the molecular formula C13H27AlO2 and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl bis(2-methylpropyl)alumanylformate.

Molecular Properties

Compound Nametert-butyl bis(2-methylpropyl)alumanylformate
PubChem CID160614429
Molecular FormulaC13H27AlO2
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Nametert-butyl bis(2-methylpropyl)alumanylformate
SMILESCC(C)C[Al](CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C5H9O2.2C4H9.Al/c1-5(2,3)7-4-6;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;
InChIKeyCPTXEBFRAQHGEU-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
tert-butyl 4-methylpentanoate
CID 14724205
methyl (2S,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
CID 58519403
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl (E)-5-methylhex-2-enoate
CID 11446750
2-O-tert-butyl 1-O-(3-methylbutyl) oxalate
CID 56996689
2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid
CID 150515745
tert-butyl 2-(hydroxymethyl)-4-methylpentanoate
CID 86048935
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514

Frequently Asked Questions

What is the IUPAC name of tert-butyl bis(2-methylpropyl)alumanylformate?
The IUPAC name of tert-butyl bis(2-methylpropyl)alumanylformate (CID 160614429) is tert-butyl bis(2-methylpropyl)alumanylformate.
What is the SMILES notation for tert-butyl bis(2-methylpropyl)alumanylformate?
The canonical SMILES for tert-butyl bis(2-methylpropyl)alumanylformate is CC(C)C[Al](CC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl bis(2-methylpropyl)alumanylformate?
The InChIKey is CPTXEBFRAQHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.2C4H9.Al/c1-5(2,3)7-4-6;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;.
What are the key properties of tert-butyl bis(2-methylpropyl)alumanylformate?
tert-butyl bis(2-methylpropyl)alumanylformate has a molecular weight of 242.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl bis(2-methylpropyl)alumanylformate is sourced from PubChem (CID 160614429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).