CID 20789201

C8H18Al- — CID 20789201

IUPAC
SMILESCC(C)C[Al-]CC(C)C
InChIInChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3;/q;;-1
InChIKeyJBYPAJTYHHBBDX-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.84
Rot. Bonds4

About CID 20789201

CID 20789201 (PubChem CID 20789201) has the molecular formula C8H18Al- and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameCID 20789201
PubChem CID20789201
Molecular FormulaC8H18Al-
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name
SMILESCC(C)C[Al-]CC(C)C
InChIInChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3;/q;;-1
InChIKeyJBYPAJTYHHBBDX-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20789201?
The IUPAC name of CID 20789201 (CID 20789201) is not available.
What is the SMILES notation for CID 20789201?
The canonical SMILES for CID 20789201 is CC(C)C[Al-]CC(C)C.
What is the InChIKey of CID 20789201?
The InChIKey is JBYPAJTYHHBBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3;/q;;-1.
What are the key properties of CID 20789201?
CID 20789201 has a molecular weight of 141.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20789201 is sourced from PubChem (CID 20789201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).