ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene

C15H30O6 — CID 87946884

IUPACethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
SMILESC=CC.CCOCCC(=O)OCC.COCCOC(C)=O
InChIInChI=1S/C7H14O3.C5H10O3.C3H6/c1-3-9-6-5-7(8)10-4-2;1-5(6)8-4-3-7-2;1-3-2/h3-6H2,1-2H3;3-4H2,1-2H3;3H,1H2,2H3
InChIKeyPGPSKYZANDZYLE-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.36
Rot. Bonds8

About ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene

ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene (PubChem CID 87946884) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene.

Molecular Properties

Compound Nameethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
PubChem CID87946884
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Nameethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
SMILESC=CC.CCOCCC(=O)OCC.COCCOC(C)=O
InChIInChI=1S/C7H14O3.C5H10O3.C3H6/c1-3-9-6-5-7(8)10-4-2;1-5(6)8-4-3-7-2;1-3-2/h3-6H2,1-2H3;3-4H2,1-2H3;3H,1H2,2H3
InChIKeyPGPSKYZANDZYLE-UHFFFAOYSA-N
XLogP2.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556
ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
CID 172999009
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
CID 172999503
ethyl 3-but-3-enoxypropanoate
CID 43174166
1,2-dimethoxyethane;ethyl acetate
CID 87198031
ethyl 3-pent-4-enoxypropanoate
CID 79113239
ethyl 3-ethoxypropanoate;heptan-2-one
CID 87786809
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene?
The IUPAC name of ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene (CID 87946884) is ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene.
What is the SMILES notation for ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene?
The canonical SMILES for ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene is C=CC.CCOCCC(=O)OCC.COCCOC(C)=O.
What is the InChIKey of ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene?
The InChIKey is PGPSKYZANDZYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C5H10O3.C3H6/c1-3-9-6-5-7(8)10-4-2;1-5(6)8-4-3-7-2;1-3-2/h3-6H2,1-2H3;3-4H2,1-2H3;3H,1H2,2H3.
What are the key properties of ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene?
ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene has a molecular weight of 306.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene is sourced from PubChem (CID 87946884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).