CID 174614333

C5H14AlO3 — CID 174614333

IUPAC—
SMILESCCCCC(=O)O.O.[AlH2]
InChIInChI=1S/C5H10O2.Al.H2O.2H/c1-2-3-4-5(6)7;;;;/h2-4H2,1H3,(H,6,7);;1H2;;
InChIKeyOQPXCJPIJOXCBQ-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.48
Rot. Bonds3

About CID 174614333

CID 174614333 (PubChem CID 174614333) has the molecular formula C5H14AlO3 and a molecular weight of 149.15 g/mol.

Molecular Properties

Compound NameCID 174614333
PubChem CID174614333
Molecular FormulaC5H14AlO3
Molecular Weight149.15 g/mol
Exact Mass149.08
IUPAC Name—
SMILESCCCCC(=O)O.O.[AlH2]
InChIInChI=1S/C5H10O2.Al.H2O.2H/c1-2-3-4-5(6)7;;;;/h2-4H2,1H3,(H,6,7);;1H2;;
InChIKeyOQPXCJPIJOXCBQ-UHFFFAOYSA-N
XLogP-0.48
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 174614333 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
oxalonitrile;pentanoic acid
CID 160836976
icosane;pentanoic acid
CID 159151393
acetic acid;pentanoic acid
CID 87061456
hexanoic acid;hydrate
CID 87522641
hypochlorous acid;pentanoic acid
CID 157152267
pentanoic acid;propan-1-ol
CID 87061359
octadecanoic acid;hydrate
CID 86588300

Frequently Asked Questions

What is the IUPAC name of CID 174614333?
The IUPAC name of CID 174614333 (CID 174614333) is not available.
What is the SMILES notation for CID 174614333?
The canonical SMILES for CID 174614333 is CCCCC(=O)O.O.[AlH2].
What is the InChIKey of CID 174614333?
The InChIKey is OQPXCJPIJOXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Al.H2O.2H/c1-2-3-4-5(6)7;;;;/h2-4H2,1H3,(H,6,7);;1H2;;.
What are the key properties of CID 174614333?
CID 174614333 has a molecular weight of 149.15 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174614333 is sourced from PubChem (CID 174614333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).