CID 172811709

C4H11AlNaO3 — CID 172811709

IUPAC—
SMILESCOC(CO[AlH2])OC.[Na]
InChIInChI=1S/C4H9O3.Al.Na.2H/c1-6-4(3-5)7-2;;;;/h4H,3H2,1-2H3;;;;/q-1;+1;;;
InChIKeySGNBEQXWGWKCBH-UHFFFAOYSA-N
MW157.10 g/mol
LogP-1.21
Rot. Bonds4

About CID 172811709

CID 172811709 (PubChem CID 172811709) has the molecular formula C4H11AlNaO3 and a molecular weight of 157.10 g/mol.

Molecular Properties

Compound NameCID 172811709
PubChem CID172811709
Molecular FormulaC4H11AlNaO3
Molecular Weight157.10 g/mol
Exact Mass157.04
IUPAC Name—
SMILESCOC(CO[AlH2])OC.[Na]
InChIInChI=1S/C4H9O3.Al.Na.2H/c1-6-4(3-5)7-2;;;;/h4H,3H2,1-2H3;;;;/q-1;+1;;;
InChIKeySGNBEQXWGWKCBH-UHFFFAOYSA-N
XLogP-1.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172811709?
The IUPAC name of CID 172811709 (CID 172811709) is not available.
What is the SMILES notation for CID 172811709?
The canonical SMILES for CID 172811709 is COC(CO[AlH2])OC.[Na].
What is the InChIKey of CID 172811709?
The InChIKey is SGNBEQXWGWKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3.Al.Na.2H/c1-6-4(3-5)7-2;;;;/h4H,3H2,1-2H3;;;;/q-1;+1;;;.
What are the key properties of CID 172811709?
CID 172811709 has a molecular weight of 157.10 g/mol, XLogP of -1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172811709 is sourced from PubChem (CID 172811709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).