CID 136749907

C5H9O2Se — CID 136749907

IUPAC—
SMILESCCOC(=O)CC[Se]
InChIInChI=1S/C5H9O2Se/c1-2-7-5(6)3-4-8/h2-4H2,1H3
InChIKeyIFQZEKVQQFSRSB-UHFFFAOYSA-N
MW180.08 g/mol
LogP0.53
Rot. Bonds3

About CID 136749907

CID 136749907 (PubChem CID 136749907) has the molecular formula C5H9O2Se and a molecular weight of 180.08 g/mol.

Molecular Properties

Compound NameCID 136749907
PubChem CID136749907
Molecular FormulaC5H9O2Se
Molecular Weight180.08 g/mol
Exact Mass180.98
IUPAC Name—
SMILESCCOC(=O)CC[Se]
InChIInChI=1S/C5H9O2Se/c1-2-7-5(6)3-4-8/h2-4H2,1H3
InChIKeyIFQZEKVQQFSRSB-UHFFFAOYSA-N
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 136749907 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

ethyl 3-hydroxypropanoate
CID 160663371
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
diethyl icosanedioate
CID 5058538
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
ethyl 3-sulfanylpropanoate
CID 21625
CID 135037216
CID 135037216
ethyl 3-iodopropanoate
CID 10911297
CID 88852626
CID 88852626

Frequently Asked Questions

What is the IUPAC name of CID 136749907?
The IUPAC name of CID 136749907 (CID 136749907) is not available.
What is the SMILES notation for CID 136749907?
The canonical SMILES for CID 136749907 is CCOC(=O)CC[Se].
What is the InChIKey of CID 136749907?
The InChIKey is IFQZEKVQQFSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2Se/c1-2-7-5(6)3-4-8/h2-4H2,1H3.
What are the key properties of CID 136749907?
CID 136749907 has a molecular weight of 180.08 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136749907 is sourced from PubChem (CID 136749907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).