CID 174376372

C11H18AlO4P — CID 174376372

IUPAC—
SMILESCc1ccc([Al])c(C(C)(C)C)c1.O=P(O)(O)O
InChIInChI=1S/C11H15.Al.H3O4P/c1-9-6-5-7-10(8-9)11(2,3)4;;1-5(2,3)4/h5-6,8H,1-4H3;;(H3,1,2,3,4)
InChIKeyKUDZSUOUSRSDEN-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.16
Rot. Bonds

About CID 174376372

CID 174376372 (PubChem CID 174376372) has the molecular formula C11H18AlO4P and a molecular weight of 272.22 g/mol.

Molecular Properties

Compound NameCID 174376372
PubChem CID174376372
Molecular FormulaC11H18AlO4P
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC Name—
SMILESCc1ccc([Al])c(C(C)(C)C)c1.O=P(O)(O)O
InChIInChI=1S/C11H15.Al.H3O4P/c1-9-6-5-7-10(8-9)11(2,3)4;;1-5(2,3)4/h5-6,8H,1-4H3;;(H3,1,2,3,4)
InChIKeyKUDZSUOUSRSDEN-UHFFFAOYSA-N
XLogP1.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174376372?
The IUPAC name of CID 174376372 (CID 174376372) is not available.
What is the SMILES notation for CID 174376372?
The canonical SMILES for CID 174376372 is Cc1ccc([Al])c(C(C)(C)C)c1.O=P(O)(O)O.
What is the InChIKey of CID 174376372?
The InChIKey is KUDZSUOUSRSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.Al.H3O4P/c1-9-6-5-7-10(8-9)11(2,3)4;;1-5(2,3)4/h5-6,8H,1-4H3;;(H3,1,2,3,4).
What are the key properties of CID 174376372?
CID 174376372 has a molecular weight of 272.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174376372 is sourced from PubChem (CID 174376372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).