propyl acetate;yttrium

C5H9O2Y- — CID 147207265

IUPACpropyl acetate;yttrium
SMILES[CH2-]CCOC(C)=O.[Y]
InChIInChI=1S/C5H9O2.Y/c1-3-4-7-5(2)6;/h1,3-4H2,2H3;/q-1;
InChIKeySZFVCMMWZHMAIJ-UHFFFAOYSA-N
MW190.03 g/mol
LogP0.77
Rot. Bonds2

About propyl acetate;yttrium

propyl acetate;yttrium (PubChem CID 147207265) has the molecular formula C5H9O2Y- and a molecular weight of 190.03 g/mol. Its IUPAC name is propyl acetate;yttrium.

Molecular Properties

Compound Namepropyl acetate;yttrium
PubChem CID147207265
Molecular FormulaC5H9O2Y-
Molecular Weight190.03 g/mol
Exact Mass189.97
IUPAC Namepropyl acetate;yttrium
SMILES[CH2-]CCOC(C)=O.[Y]
InChIInChI=1S/C5H9O2.Y/c1-3-4-7-5(2)6;/h1,3-4H2,2H3;/q-1;
InChIKeySZFVCMMWZHMAIJ-UHFFFAOYSA-N
XLogP0.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propyl acetate;yttrium 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

potassium propyl 2-methylprop-2-enoate
CID 140760995
ethyl acetate
CID 58612452
methanolate;tris(propyl 2-methylprop-2-enoate);zirconium(4+)
CID 175530971
11-acetyloxyundecyl acetate
CID 87784419
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
CID 158105337
CID 158105337
propyl acetate;hydrate
CID 122690555
2-chlorosulfonylethyl acetate
CID 13139000
CID 158732412
CID 158732412
(3-amino-3-oxopropyl) acetate
CID 19981550

Frequently Asked Questions

What is the IUPAC name of propyl acetate;yttrium?
The IUPAC name of propyl acetate;yttrium (CID 147207265) is propyl acetate;yttrium.
What is the SMILES notation for propyl acetate;yttrium?
The canonical SMILES for propyl acetate;yttrium is [CH2-]CCOC(C)=O.[Y].
What is the InChIKey of propyl acetate;yttrium?
The InChIKey is SZFVCMMWZHMAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.Y/c1-3-4-7-5(2)6;/h1,3-4H2,2H3;/q-1;.
What are the key properties of propyl acetate;yttrium?
propyl acetate;yttrium has a molecular weight of 190.03 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl acetate;yttrium is sourced from PubChem (CID 147207265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).