CID 159458162

C22H42AlIn — CID 159458162

IUPAC—
SMILESCC(C)(C)[Al](C(C)(C)C)C(C)(C)C.CC1=C(C)C(C)([In])C(C)=C1C
InChIInChI=1S/C10H15.3C4H9.Al.In/c1-6-7(2)9(4)10(5)8(6)3;3*1-4(2)3;;/h1-5H3;3*1-3H3;;
InChIKeyLOQGIWVDZZOXTL-UHFFFAOYSA-N
MW448.38 g/mol
LogP7.90
Rot. Bonds

About CID 159458162

CID 159458162 (PubChem CID 159458162) has the molecular formula C22H42AlIn and a molecular weight of 448.38 g/mol.

Molecular Properties

Compound NameCID 159458162
PubChem CID159458162
Molecular FormulaC22H42AlIn
Molecular Weight448.38 g/mol
Exact Mass448.21
IUPAC Name—
SMILESCC(C)(C)[Al](C(C)(C)C)C(C)(C)C.CC1=C(C)C(C)([In])C(C)=C1C
InChIInChI=1S/C10H15.3C4H9.Al.In/c1-6-7(2)9(4)10(5)8(6)3;3*1-4(2)3;;/h1-5H3;3*1-3H3;;
InChIKeyLOQGIWVDZZOXTL-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.38
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 159458162?
The IUPAC name of CID 159458162 (CID 159458162) is not available.
What is the SMILES notation for CID 159458162?
The canonical SMILES for CID 159458162 is CC(C)(C)[Al](C(C)(C)C)C(C)(C)C.CC1=C(C)C(C)([In])C(C)=C1C.
What is the InChIKey of CID 159458162?
The InChIKey is LOQGIWVDZZOXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C4H9.Al.In/c1-6-7(2)9(4)10(5)8(6)3;3*1-4(2)3;;/h1-5H3;3*1-3H3;;.
What are the key properties of CID 159458162?
CID 159458162 has a molecular weight of 448.38 g/mol, XLogP of 7.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159458162 is sourced from PubChem (CID 159458162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).