bromo-(2-methylpropyl)-propan-2-yloxyalumane

C7H16AlBrO — CID 139634145

IUPACbromo-(2-methylpropyl)-propan-2-yloxyalumane
SMILESCC(C)C[Al](Br)OC(C)C
InChIInChI=1S/C4H9.C3H7O.Al.BrH/c1-4(2)3;1-3(2)4;;/h4H,1H2,2-3H3;3H,1-2H3;;1H/q;-1;+2;/p-1
InChIKeyBFOLLXCVYDWZBY-UHFFFAOYSA-M
MW223.09 g/mol
LogP2.95
Rot. Bonds4

About bromo-(2-methylpropyl)-propan-2-yloxyalumane

bromo-(2-methylpropyl)-propan-2-yloxyalumane (PubChem CID 139634145) has the molecular formula C7H16AlBrO and a molecular weight of 223.09 g/mol. Its IUPAC name is bromo-(2-methylpropyl)-propan-2-yloxyalumane.

Molecular Properties

Compound Namebromo-(2-methylpropyl)-propan-2-yloxyalumane
PubChem CID139634145
Molecular FormulaC7H16AlBrO
Molecular Weight223.09 g/mol
Exact Mass222.02
IUPAC Namebromo-(2-methylpropyl)-propan-2-yloxyalumane
SMILESCC(C)C[Al](Br)OC(C)C
InChIInChI=1S/C4H9.C3H7O.Al.BrH/c1-4(2)3;1-3(2)4;;/h4H,1H2,2-3H3;3H,1-2H3;;1H/q;-1;+2;/p-1
InChIKeyBFOLLXCVYDWZBY-UHFFFAOYSA-M
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butan-2-yloxy-bis(2-methylpropyl)alumane
CID 16699071
alumane;dimethyl(2-methylpropyl)alumane
CID 175439137
chloro-methoxy-(2-methylpropyl)alumane
CID 139634114
CID 20789201
CID 20789201
1-ethoxypropoxy-bis(2-methylpropyl)alumane
CID 139905156
bis(2-methylpropyl)-(1-propoxyethoxy)alumane
CID 139905267
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
tert-butyl-bis(2-methylpropyl)alumane
CID 16696757
calcium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)
CID 121233675
2-methyl-N-(2-propan-2-yloxypropyl)propan-1-amine
CID 62444418
N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
CID 139905319
1-methoxybutoxy-bis(2-methylpropyl)alumane
CID 139905152

Frequently Asked Questions

What is the IUPAC name of bromo-(2-methylpropyl)-propan-2-yloxyalumane?
The IUPAC name of bromo-(2-methylpropyl)-propan-2-yloxyalumane (CID 139634145) is bromo-(2-methylpropyl)-propan-2-yloxyalumane.
What is the SMILES notation for bromo-(2-methylpropyl)-propan-2-yloxyalumane?
The canonical SMILES for bromo-(2-methylpropyl)-propan-2-yloxyalumane is CC(C)C[Al](Br)OC(C)C.
What is the InChIKey of bromo-(2-methylpropyl)-propan-2-yloxyalumane?
The InChIKey is BFOLLXCVYDWZBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.C3H7O.Al.BrH/c1-4(2)3;1-3(2)4;;/h4H,1H2,2-3H3;3H,1-2H3;;1H/q;-1;+2;/p-1.
What are the key properties of bromo-(2-methylpropyl)-propan-2-yloxyalumane?
bromo-(2-methylpropyl)-propan-2-yloxyalumane has a molecular weight of 223.09 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2-methylpropyl)-propan-2-yloxyalumane is sourced from PubChem (CID 139634145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).