2-methoxyethyl butanoate;tris(prop-1-ene)

C16H32O3 — CID 173481556

IUPAC2-methoxyethyl butanoate;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.CCCC(=O)OCCOC
InChIInChI=1S/C7H14O3.3C3H6/c1-3-4-7(8)10-6-5-9-2;3*1-3-2/h3-6H2,1-2H3;3*3H,1H2,2H3
InChIKeyWANSNTGWOQGPNP-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.55
Rot. Bonds5

About 2-methoxyethyl butanoate;tris(prop-1-ene)

2-methoxyethyl butanoate;tris(prop-1-ene) (PubChem CID 173481556) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-methoxyethyl butanoate;tris(prop-1-ene).

Molecular Properties

Compound Name2-methoxyethyl butanoate;tris(prop-1-ene)
PubChem CID173481556
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name2-methoxyethyl butanoate;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.CCCC(=O)OCCOC
InChIInChI=1S/C7H14O3.3C3H6/c1-3-4-7(8)10-6-5-9-2;3*1-3-2/h3-6H2,1-2H3;3*3H,1H2,2H3
InChIKeyWANSNTGWOQGPNP-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl butanoate;tris(prop-1-ene) 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-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509
2-butanoyloxyethyl butanoate;methane
CID 161018761
2-carboxyoxyethyl butanoate
CID 140975603
2-methoxyethyl octanoate
CID 14009347
methane;propyl butanoate
CID 157187060
ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
CID 87946884
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
4-O-butyl 1-O-methyl butanedioate;bis(ethane-1,2-diol);tetrakis(prop-1-ene)
CID 173079010
methane;methoxymethyl butanoate
CID 159855538
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl butanoate;tris(prop-1-ene)?
The IUPAC name of 2-methoxyethyl butanoate;tris(prop-1-ene) (CID 173481556) is 2-methoxyethyl butanoate;tris(prop-1-ene).
What is the SMILES notation for 2-methoxyethyl butanoate;tris(prop-1-ene)?
The canonical SMILES for 2-methoxyethyl butanoate;tris(prop-1-ene) is C=CC.C=CC.C=CC.CCCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl butanoate;tris(prop-1-ene)?
The InChIKey is WANSNTGWOQGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.3C3H6/c1-3-4-7(8)10-6-5-9-2;3*1-3-2/h3-6H2,1-2H3;3*3H,1H2,2H3.
What are the key properties of 2-methoxyethyl butanoate;tris(prop-1-ene)?
2-methoxyethyl butanoate;tris(prop-1-ene) has a molecular weight of 272.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl butanoate;tris(prop-1-ene) is sourced from PubChem (CID 173481556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).