CID 57451317

C6H13AlO2 — CID 57451317

IUPAC—
SMILESCCOC(C[Al])OCC
InChIInChI=1S/C6H13O2.Al/c1-4-7-6(3)8-5-2;/h6H,3-5H2,1-2H3;
InChIKeyMZXBLWOJQPZWIG-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.97
Rot. Bonds5

About CID 57451317

CID 57451317 (PubChem CID 57451317) has the molecular formula C6H13AlO2 and a molecular weight of 144.15 g/mol.

Molecular Properties

Compound NameCID 57451317
PubChem CID57451317
Molecular FormulaC6H13AlO2
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name—
SMILESCCOC(C[Al])OCC
InChIInChI=1S/C6H13O2.Al/c1-4-7-6(3)8-5-2;/h6H,3-5H2,1-2H3;
InChIKeyMZXBLWOJQPZWIG-UHFFFAOYSA-N
XLogP0.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxyethoxy(oxo)phosphanium
CID 172806023
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
lithium 1,1-diethoxypropane
CID 11355511
1-ethoxypropyl hypoiodite
CID 88918187
3-deuterio-1,1-diethoxypropane
CID 15618247
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
CID 87144633
CID 87144633
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
potassium 3,3-diethoxypropan-1-olate
CID 23688415
3-bromo-1,1-diethoxybutane
CID 12682404
2,2-diethoxyethyl(diethyl)phosphane
CID 174609008

Frequently Asked Questions

What is the IUPAC name of CID 57451317?
The IUPAC name of CID 57451317 (CID 57451317) is not available.
What is the SMILES notation for CID 57451317?
The canonical SMILES for CID 57451317 is CCOC(C[Al])OCC.
What is the InChIKey of CID 57451317?
The InChIKey is MZXBLWOJQPZWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2.Al/c1-4-7-6(3)8-5-2;/h6H,3-5H2,1-2H3;.
What are the key properties of CID 57451317?
CID 57451317 has a molecular weight of 144.15 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57451317 is sourced from PubChem (CID 57451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).