CID 174749882

C6H19AlNO — CID 174749882

IUPAC—
SMILESCCO.CC[Al]CC.N
InChIInChI=1S/C2H6O.2C2H5.Al.H3N/c1-2-3;2*1-2;;/h3H,2H2,1H3;2*1H2,2H3;;1H3
InChIKeyHODYGBPEPHRSTF-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.73
Rot. Bonds2

About CID 174749882

CID 174749882 (PubChem CID 174749882) has the molecular formula C6H19AlNO and a molecular weight of 148.21 g/mol.

Molecular Properties

Compound NameCID 174749882
PubChem CID174749882
Molecular FormulaC6H19AlNO
Molecular Weight148.21 g/mol
Exact Mass148.13
IUPAC Name—
SMILESCCO.CC[Al]CC.N
InChIInChI=1S/C2H6O.2C2H5.Al.H3N/c1-2-3;2*1-2;;/h3H,2H2,1H3;2*1H2,2H3;;1H3
InChIKeyHODYGBPEPHRSTF-UHFFFAOYSA-N
XLogP1.73
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174749882?
The IUPAC name of CID 174749882 (CID 174749882) is not available.
What is the SMILES notation for CID 174749882?
The canonical SMILES for CID 174749882 is CCO.CC[Al]CC.N.
What is the InChIKey of CID 174749882?
The InChIKey is HODYGBPEPHRSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.2C2H5.Al.H3N/c1-2-3;2*1-2;;/h3H,2H2,1H3;2*1H2,2H3;;1H3.
What are the key properties of CID 174749882?
CID 174749882 has a molecular weight of 148.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174749882 is sourced from PubChem (CID 174749882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).