CID 174820135

C20H55Al4Cl5 — CID 174820135

IUPAC—
SMILESCC(C)C[Al]CC(C)C.CC(C)C[Al]CC(C)C.CC[AlH2].CC[AlH2].Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/4C4H9.2C2H5.4Al.5ClH.4H/c4*1-4(2)3;2*1-2;;;;;;;;;;;;;/h4*4H,1H2,2-3H3;2*1H2,2H3;;;;;5*1H;;;;
InChIKeySYXZCICCDVVANO-UHFFFAOYSA-N
MW580.85 g/mol
LogP7.90
Rot. Bonds8

About CID 174820135

CID 174820135 (PubChem CID 174820135) has the molecular formula C20H55Al4Cl5 and a molecular weight of 580.85 g/mol.

Molecular Properties

Compound NameCID 174820135
PubChem CID174820135
Molecular FormulaC20H55Al4Cl5
Molecular Weight580.85 g/mol
Exact Mass578.20
IUPAC Name—
SMILESCC(C)C[Al]CC(C)C.CC(C)C[Al]CC(C)C.CC[AlH2].CC[AlH2].Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/4C4H9.2C2H5.4Al.5ClH.4H/c4*1-4(2)3;2*1-2;;;;;;;;;;;;;/h4*4H,1H2,2-3H3;2*1H2,2H3;;;;;5*1H;;;;
InChIKeySYXZCICCDVVANO-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.85
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 174820135?
The IUPAC name of CID 174820135 (CID 174820135) is not available.
What is the SMILES notation for CID 174820135?
The canonical SMILES for CID 174820135 is CC(C)C[Al]CC(C)C.CC(C)C[Al]CC(C)C.CC[AlH2].CC[AlH2].Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of CID 174820135?
The InChIKey is SYXZCICCDVVANO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9.2C2H5.4Al.5ClH.4H/c4*1-4(2)3;2*1-2;;;;;;;;;;;;;/h4*4H,1H2,2-3H3;2*1H2,2H3;;;;;5*1H;;;;.
What are the key properties of CID 174820135?
CID 174820135 has a molecular weight of 580.85 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174820135 is sourced from PubChem (CID 174820135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).