CID 87119276

C6H15AlNaO3 — CID 87119276

IUPAC—
SMILESCCO[Al](OCC)OCC.[Na]
InChIInChI=1S/3C2H5O.Al.Na/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+3;
InChIKeyNMNAURDDHOXIDH-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.70
Rot. Bonds6

About CID 87119276

CID 87119276 (PubChem CID 87119276) has the molecular formula C6H15AlNaO3 and a molecular weight of 185.15 g/mol.

Molecular Properties

Compound NameCID 87119276
PubChem CID87119276
Molecular FormulaC6H15AlNaO3
Molecular Weight185.15 g/mol
Exact Mass185.07
IUPAC Name—
SMILESCCO[Al](OCC)OCC.[Na]
InChIInChI=1S/3C2H5O.Al.Na/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+3;
InChIKeyNMNAURDDHOXIDH-UHFFFAOYSA-N
XLogP0.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

triethoxyalumane
CID 141061757
sodium triethoxyalumane
CID 57452515
[ethoxy(propanoyloxy)alumanyl] propanoate
CID 88665930
trioctoxyalumane
CID 16712392
propan-2-ol;tripropoxyalumane
CID 159839626
4-[3-aminopropoxy(ethoxy)alumanyl]oxy-4,4-diethoxybutan-1-amine
CID 175292925
CID 156593652
CID 156593652
propane;ruthenium
CID 161061794
ethoxy-methyl-(oxiran-2-yl)alumane
CID 58833483
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;triiodoalumane
CID 139244105

Frequently Asked Questions

What is the IUPAC name of CID 87119276?
The IUPAC name of CID 87119276 (CID 87119276) is not available.
What is the SMILES notation for CID 87119276?
The canonical SMILES for CID 87119276 is CCO[Al](OCC)OCC.[Na].
What is the InChIKey of CID 87119276?
The InChIKey is NMNAURDDHOXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.Al.Na/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+3;.
What are the key properties of CID 87119276?
CID 87119276 has a molecular weight of 185.15 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87119276 is sourced from PubChem (CID 87119276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).