bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane

C15H31AlO2 — CID 139905012

IUPACbis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane
SMILESCC(C)C[Al](CC(C)C)OC(C)C1CCCOC1
InChIInChI=1S/C7H13O2.2C4H9.Al/c1-6(8)7-3-2-4-9-5-7;2*1-4(2)3;/h6-7H,2-5H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyLBGCDXCABHMNJI-UHFFFAOYSA-N
MW270.39 g/mol
LogP4.12
Rot. Bonds7

About bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane

bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane (PubChem CID 139905012) has the molecular formula C15H31AlO2 and a molecular weight of 270.39 g/mol. Its IUPAC name is bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane
PubChem CID139905012
Molecular FormulaC15H31AlO2
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Namebis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane
SMILESCC(C)C[Al](CC(C)C)OC(C)C1CCCOC1
InChIInChI=1S/C7H13O2.2C4H9.Al/c1-6(8)7-3-2-4-9-5-7;2*1-4(2)3;/h6-7H,2-5H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyLBGCDXCABHMNJI-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
3-pentan-3-yloxane
CID 15620798
[2-methyl-1-(oxan-3-yl)propyl] formate
CID 175408553
4-(oxan-3-yl)pentan-2-ol
CID 107137854
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
3-(oxan-3-yl)pentan-2-ol
CID 107137335
3-(1-ethoxyethyl)oxolane
CID 11788363

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane?
The IUPAC name of bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane (CID 139905012) is bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane.
What is the SMILES notation for bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane?
The canonical SMILES for bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane is CC(C)C[Al](CC(C)C)OC(C)C1CCCOC1.
What is the InChIKey of bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane?
The InChIKey is LBGCDXCABHMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.2C4H9.Al/c1-6(8)7-3-2-4-9-5-7;2*1-4(2)3;/h6-7H,2-5H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane?
bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane has a molecular weight of 270.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-[1-(oxan-3-yl)ethoxy]alumane is sourced from PubChem (CID 139905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).