CID 87078371

C4H10AlO2 — CID 87078371

IUPAC—
SMILESC1CC[Al]OC1.O
InChIInChI=1S/C4H8O.Al.H2O/c1-2-3-4-5;;/h1-4H2;;1H2/q-1;+1;
InChIKeyWOMQOVYMJKNYOM-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.01
Rot. Bonds

About CID 87078371

CID 87078371 (PubChem CID 87078371) has the molecular formula C4H10AlO2 and a molecular weight of 117.10 g/mol.

Molecular Properties

Compound NameCID 87078371
PubChem CID87078371
Molecular FormulaC4H10AlO2
Molecular Weight117.10 g/mol
Exact Mass117.05
IUPAC Name—
SMILESC1CC[Al]OC1.O
InChIInChI=1S/C4H8O.Al.H2O/c1-2-3-4-5;;/h1-4H2;;1H2/q-1;+1;
InChIKeyWOMQOVYMJKNYOM-UHFFFAOYSA-N
XLogP0.01
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87078371?
The IUPAC name of CID 87078371 (CID 87078371) is not available.
What is the SMILES notation for CID 87078371?
The canonical SMILES for CID 87078371 is C1CC[Al]OC1.O.
What is the InChIKey of CID 87078371?
The InChIKey is WOMQOVYMJKNYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Al.H2O/c1-2-3-4-5;;/h1-4H2;;1H2/q-1;+1;.
What are the key properties of CID 87078371?
CID 87078371 has a molecular weight of 117.10 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87078371 is sourced from PubChem (CID 87078371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).