CID 87687876

C8H15AlO — CID 87687876

IUPAC—
SMILESC1CCOCC1.C=CC[Al]
InChIInChI=1S/C5H10O.C3H5.Al/c1-2-4-6-5-3-1;1-3-2;/h1-5H2;3H,1-2H2;
InChIKeyIOWNDLQLEFIXLG-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.95
Rot. Bonds1

About CID 87687876

CID 87687876 (PubChem CID 87687876) has the molecular formula C8H15AlO and a molecular weight of 154.19 g/mol.

Molecular Properties

Compound NameCID 87687876
PubChem CID87687876
Molecular FormulaC8H15AlO
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name—
SMILESC1CCOCC1.C=CC[Al]
InChIInChI=1S/C5H10O.C3H5.Al/c1-2-4-6-5-3-1;1-3-2;/h1-5H2;3H,1-2H2;
InChIKeyIOWNDLQLEFIXLG-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87687876?
The IUPAC name of CID 87687876 (CID 87687876) is not available.
What is the SMILES notation for CID 87687876?
The canonical SMILES for CID 87687876 is C1CCOCC1.C=CC[Al].
What is the InChIKey of CID 87687876?
The InChIKey is IOWNDLQLEFIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H5.Al/c1-2-4-6-5-3-1;1-3-2;/h1-5H2;3H,1-2H2;.
What are the key properties of CID 87687876?
CID 87687876 has a molecular weight of 154.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87687876 is sourced from PubChem (CID 87687876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).