tri(butan-2-yloxy)alumane;hydrate

C12H29AlO4 — CID 141014531

IUPACtri(butan-2-yloxy)alumane;hydrate
SMILESCCC(C)O[Al](OC(C)CC)OC(C)CC.O
InChIInChI=1S/3C4H9O.Al.H2O/c3*1-3-4(2)5;;/h3*4H,3H2,1-2H3;;1H2/q3*-1;+3;
InChIKeyDLABFUWYECCJCN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.59
Rot. Bonds9

About tri(butan-2-yloxy)alumane;hydrate

tri(butan-2-yloxy)alumane;hydrate (PubChem CID 141014531) has the molecular formula C12H29AlO4 and a molecular weight of 264.34 g/mol. Its IUPAC name is tri(butan-2-yloxy)alumane;hydrate.

Molecular Properties

Compound Nametri(butan-2-yloxy)alumane;hydrate
PubChem CID141014531
Molecular FormulaC12H29AlO4
Molecular Weight264.34 g/mol
Exact Mass264.19
IUPAC Nametri(butan-2-yloxy)alumane;hydrate
SMILESCCC(C)O[Al](OC(C)CC)OC(C)CC.O
InChIInChI=1S/3C4H9O.Al.H2O/c3*1-3-4(2)5;;/h3*4H,3H2,1-2H3;;1H2/q3*-1;+3;
InChIKeyDLABFUWYECCJCN-UHFFFAOYSA-N
XLogP2.59
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yloxy-bis(2-methylpropyl)alumane
CID 16699071
tri(butan-2-yloxy)bismuthane
CID 139902466
di(butan-2-yloxy)alumanyl octadecanoate
CID 16684308
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861
CID 173228118
CID 173228118
methane;2-methoxybutane
CID 162124465
butan-2-yloxyalumane
CID 173404497
2-butan-2-yloxybutane;ethanol
CID 88614162
(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane;methane
CID 162220733
butan-2-yloxy(dimethyl)silane
CID 123806179
(2S,3S)-2-iodo-3-methylpentane
CID 88913110

Frequently Asked Questions

What is the IUPAC name of tri(butan-2-yloxy)alumane;hydrate?
The IUPAC name of tri(butan-2-yloxy)alumane;hydrate (CID 141014531) is tri(butan-2-yloxy)alumane;hydrate.
What is the SMILES notation for tri(butan-2-yloxy)alumane;hydrate?
The canonical SMILES for tri(butan-2-yloxy)alumane;hydrate is CCC(C)O[Al](OC(C)CC)OC(C)CC.O.
What is the InChIKey of tri(butan-2-yloxy)alumane;hydrate?
The InChIKey is DLABFUWYECCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al.H2O/c3*1-3-4(2)5;;/h3*4H,3H2,1-2H3;;1H2/q3*-1;+3;.
What are the key properties of tri(butan-2-yloxy)alumane;hydrate?
tri(butan-2-yloxy)alumane;hydrate has a molecular weight of 264.34 g/mol, XLogP of 2.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)alumane;hydrate is sourced from PubChem (CID 141014531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).