ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate

C15H28O5 — CID 11208462

IUPACethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate
SMILESC=C(C)C(CCCOCOCCOC)CC(=O)OCC
InChIInChI=1S/C15H28O5/c1-5-20-15(16)11-14(13(2)3)7-6-8-18-12-19-10-9-17-4/h14H,2,5-12H2,1,3-4H3
InChIKeyLFDFILQIFRPGIH-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.55
Rot. Bonds13

About ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate

ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate (PubChem CID 11208462) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate.

Molecular Properties

Compound Nameethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate
PubChem CID11208462
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Nameethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate
SMILESC=C(C)C(CCCOCOCCOC)CC(=O)OCC
InChIInChI=1S/C15H28O5/c1-5-20-15(16)11-14(13(2)3)7-6-8-18-12-19-10-9-17-4/h14H,2,5-12H2,1,3-4H3
InChIKeyLFDFILQIFRPGIH-UHFFFAOYSA-N
XLogP2.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,4-dimethylpent-4-enoate
CID 14786682
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
6-ethoxy-3-ethylhexan-2-one
CID 65180817
diethyl 2-(3-aminopropyl)butanedioate
CID 90300606
diethyl 2-octylbutanedioate
CID 15054026
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
diethyl 3-(2-methoxyacetyl)pentanedioate
CID 141391818
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
ethyl 3-(3-methoxypropylsulfanyl)butanoate
CID 63856812
1-(ethoxymethoxy)-2-methoxyethane
CID 18398264

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate?
The IUPAC name of ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate (CID 11208462) is ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate.
What is the SMILES notation for ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate?
The canonical SMILES for ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate is C=C(C)C(CCCOCOCCOC)CC(=O)OCC.
What is the InChIKey of ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate?
The InChIKey is LFDFILQIFRPGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-5-20-15(16)11-14(13(2)3)7-6-8-18-12-19-10-9-17-4/h14H,2,5-12H2,1,3-4H3.
What are the key properties of ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate?
ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate has a molecular weight of 288.38 g/mol, XLogP of 2.55, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate is sourced from PubChem (CID 11208462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).