butyl propanoate;2-(2-hydroxyethoxy)ethanol

C11H24O5 — CID 157321164

IUPACbutyl propanoate;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(=O)CC.OCCOCCO
InChIInChI=1S/C7H14O2.C4H10O3/c1-3-5-6-9-7(8)4-2;5-1-3-7-4-2-6/h3-6H2,1-2H3;5-6H,1-4H2
InChIKeyBEEKDBSEQPEWKV-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.73
Rot. Bonds8

About butyl propanoate;2-(2-hydroxyethoxy)ethanol

butyl propanoate;2-(2-hydroxyethoxy)ethanol (PubChem CID 157321164) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is butyl propanoate;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebutyl propanoate;2-(2-hydroxyethoxy)ethanol
PubChem CID157321164
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Namebutyl propanoate;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(=O)CC.OCCOCCO
InChIInChI=1S/C7H14O2.C4H10O3/c1-3-5-6-9-7(8)4-2;5-1-3-7-4-2-6/h3-6H2,1-2H3;5-6H,1-4H2
InChIKeyBEEKDBSEQPEWKV-UHFFFAOYSA-N
XLogP0.73
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl propanoate;2-(2-hydroxyethoxy)ethanol 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;pentan-1-ol
CID 174862419
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
butyl acetate;butyl propanoate
CID 146454532
pentyl propanoate;hydrofluoride
CID 174645674
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
2-butoxyethanol
CID 8133
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
9-hydroxynonyl propanoate
CID 90020173
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
6-butoxyhexyl 2-hydroxyacetate
CID 151151015
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714

Frequently Asked Questions

What is the IUPAC name of butyl propanoate;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of butyl propanoate;2-(2-hydroxyethoxy)ethanol (CID 157321164) is butyl propanoate;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for butyl propanoate;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for butyl propanoate;2-(2-hydroxyethoxy)ethanol is CCCCOC(=O)CC.OCCOCCO.
What is the InChIKey of butyl propanoate;2-(2-hydroxyethoxy)ethanol?
The InChIKey is BEEKDBSEQPEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C4H10O3/c1-3-5-6-9-7(8)4-2;5-1-3-7-4-2-6/h3-6H2,1-2H3;5-6H,1-4H2.
What are the key properties of butyl propanoate;2-(2-hydroxyethoxy)ethanol?
butyl propanoate;2-(2-hydroxyethoxy)ethanol has a molecular weight of 236.31 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl propanoate;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 157321164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).