2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid

C10H21IO6 — CID 157337813

IUPAC2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid
SMILESCCC(=O)O.CCC(=O)OCCO.OCCI
InChIInChI=1S/C5H10O3.C3H6O2.C2H5IO/c1-2-5(7)8-4-3-6;1-2-3(4)5;3-1-2-4/h6H,2-4H2,1H3;2H2,1H3,(H,4,5);4H,1-2H2
InChIKeyBGAVDFMKFMDDJJ-UHFFFAOYSA-N
MW364.18 g/mol
LogP0.83
Rot. Bonds5

About 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid

2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid (PubChem CID 157337813) has the molecular formula C10H21IO6 and a molecular weight of 364.18 g/mol. Its IUPAC name is 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid.

Molecular Properties

Compound Name2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid
PubChem CID157337813
Molecular FormulaC10H21IO6
Molecular Weight364.18 g/mol
Exact Mass364.04
IUPAC Name2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid
SMILESCCC(=O)O.CCC(=O)OCCO.OCCI
InChIInChI=1S/C5H10O3.C3H6O2.C2H5IO/c1-2-5(7)8-4-3-6;1-2-3(4)5;3-1-2-4/h6H,2-4H2,1H3;2H2,1H3,(H,4,5);4H,1-2H2
InChIKeyBGAVDFMKFMDDJJ-UHFFFAOYSA-N
XLogP0.83
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid 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

2-hydroxyethyl propanoate;propanoic acid
CID 175568032
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
4-iodobutyl propanoate
CID 11780110
2-hydroxyethyl propanoate;pentan-1-ol
CID 174862419
octyl propanoate;propanoic acid
CID 87090257
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
9-hydroxynonyl propanoate
CID 90020173
butyl propanoate;2-(2-hydroxyethoxy)ethanol
CID 157321164
azane;dodecyl propanoate;propanoic acid
CID 87327250
2-ethoxyethanol;propanoic acid
CID 71354268
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283
14-propanoyloxytetradecyl propanoate
CID 100931915

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid?
The IUPAC name of 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid (CID 157337813) is 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid.
What is the SMILES notation for 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid?
The canonical SMILES for 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid is CCC(=O)O.CCC(=O)OCCO.OCCI.
What is the InChIKey of 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid?
The InChIKey is BGAVDFMKFMDDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O2.C2H5IO/c1-2-5(7)8-4-3-6;1-2-3(4)5;3-1-2-4/h6H,2-4H2,1H3;2H2,1H3,(H,4,5);4H,1-2H2.
What are the key properties of 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid?
2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid has a molecular weight of 364.18 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid is sourced from PubChem (CID 157337813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).