butan-2-yloxy-bis(2-methylpropyl)alumane

C12H27AlO — CID 16699071

IUPACbutan-2-yloxy-bis(2-methylpropyl)alumane
SMILESCCC(C)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-3-4(2)5;2*1-4(2)3;/h4H,3H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyPSTOOXXONWKKBW-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.11
Rot. Bonds7

About butan-2-yloxy-bis(2-methylpropyl)alumane

butan-2-yloxy-bis(2-methylpropyl)alumane (PubChem CID 16699071) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is butan-2-yloxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Namebutan-2-yloxy-bis(2-methylpropyl)alumane
PubChem CID16699071
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Namebutan-2-yloxy-bis(2-methylpropyl)alumane
SMILESCCC(C)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-3-4(2)5;2*1-4(2)3;/h4H,3H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyPSTOOXXONWKKBW-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxypropoxy-bis(2-methylpropyl)alumane
CID 139905156
tri(butan-2-yloxy)alumane;hydrate
CID 141014531
bis(2-methylpropyl)-(1-propoxyethoxy)alumane
CID 139905267
1-butoxypropoxy-bis(2-methylpropyl)alumane
CID 139905186
N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
CID 139905319
1-methoxybutoxy-bis(2-methylpropyl)alumane
CID 139905152
bis(2-methylpropyl)-(1-octoxypropoxy)alumane
CID 139905020
1-[bis(2-methylpropyl)alumanyloxy]-N,N-dibutylbutan-1-amine
CID 139905082
tri(butan-2-yloxy)bismuthane
CID 139902466
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-bis(2-methylpropyl)alumane?
The IUPAC name of butan-2-yloxy-bis(2-methylpropyl)alumane (CID 16699071) is butan-2-yloxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for butan-2-yloxy-bis(2-methylpropyl)alumane?
The canonical SMILES for butan-2-yloxy-bis(2-methylpropyl)alumane is CCC(C)O[Al](CC(C)C)CC(C)C.
What is the InChIKey of butan-2-yloxy-bis(2-methylpropyl)alumane?
The InChIKey is PSTOOXXONWKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H9.Al/c1-3-4(2)5;2*1-4(2)3;/h4H,3H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of butan-2-yloxy-bis(2-methylpropyl)alumane?
butan-2-yloxy-bis(2-methylpropyl)alumane has a molecular weight of 214.33 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16699071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).