CID 173236644

C16H33Al — CID 173236644

IUPAC—
SMILESCC(C)CC([Al])(CC(C)C)C(C)CC(C)(C)C
InChIInChI=1S/C16H33.Al/c1-12(2)9-15(10-13(3)4)14(5)11-16(6,7)8;/h12-14H,9-11H2,1-8H3;
InChIKeyRMJBWUJGHJOPGZ-UHFFFAOYSA-N
MW252.42 g/mol
LogP5.48
Rot. Bonds6

About CID 173236644

CID 173236644 (PubChem CID 173236644) has the molecular formula C16H33Al and a molecular weight of 252.42 g/mol.

Molecular Properties

Compound NameCID 173236644
PubChem CID173236644
Molecular FormulaC16H33Al
Molecular Weight252.42 g/mol
Exact Mass252.24
IUPAC Name—
SMILESCC(C)CC([Al])(CC(C)C)C(C)CC(C)(C)C
InChIInChI=1S/C16H33.Al/c1-12(2)9-15(10-13(3)4)14(5)11-16(6,7)8;/h12-14H,9-11H2,1-8H3;
InChIKeyRMJBWUJGHJOPGZ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173236644?
The IUPAC name of CID 173236644 (CID 173236644) is not available.
What is the SMILES notation for CID 173236644?
The canonical SMILES for CID 173236644 is CC(C)CC([Al])(CC(C)C)C(C)CC(C)(C)C.
What is the InChIKey of CID 173236644?
The InChIKey is RMJBWUJGHJOPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33.Al/c1-12(2)9-15(10-13(3)4)14(5)11-16(6,7)8;/h12-14H,9-11H2,1-8H3;.
What are the key properties of CID 173236644?
CID 173236644 has a molecular weight of 252.42 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173236644 is sourced from PubChem (CID 173236644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).