CID 157332317

C12H28Al — CID 157332317

IUPAC—
SMILESCC(C)C[Al]CC(C)C.CCCC
InChIInChI=1S/2C4H9.C4H10.Al/c2*1-4(2)3;1-3-4-2;/h2*4H,1H2,2-3H3;3-4H2,1-2H3;
InChIKeyBFKVCFDNIQAZBE-UHFFFAOYSA-N
MW199.34 g/mol
LogP4.65
Rot. Bonds5

About CID 157332317

CID 157332317 (PubChem CID 157332317) has the molecular formula C12H28Al and a molecular weight of 199.34 g/mol.

Molecular Properties

Compound NameCID 157332317
PubChem CID157332317
Molecular FormulaC12H28Al
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name—
SMILESCC(C)C[Al]CC(C)C.CCCC
InChIInChI=1S/2C4H9.C4H10.Al/c2*1-4(2)3;1-3-4-2;/h2*4H,1H2,2-3H3;3-4H2,1-2H3;
InChIKeyBFKVCFDNIQAZBE-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 157332317?
The IUPAC name of CID 157332317 (CID 157332317) is not available.
What is the SMILES notation for CID 157332317?
The canonical SMILES for CID 157332317 is CC(C)C[Al]CC(C)C.CCCC.
What is the InChIKey of CID 157332317?
The InChIKey is BFKVCFDNIQAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C4H10.Al/c2*1-4(2)3;1-3-4-2;/h2*4H,1H2,2-3H3;3-4H2,1-2H3;.
What are the key properties of CID 157332317?
CID 157332317 has a molecular weight of 199.34 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157332317 is sourced from PubChem (CID 157332317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).