methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate

C10H18O5 — CID 23254771

IUPACmethyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate
SMILESCOCCOCOC(C)/C=C/C(=O)OC
InChIInChI=1S/C10H18O5/c1-9(4-5-10(11)13-3)15-8-14-7-6-12-2/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyPPGWSRBWMLSHNM-SNAWJCMRSA-N
MW218.25 g/mol
LogP0.74
Rot. Bonds8

About methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate

methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate (PubChem CID 23254771) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate
PubChem CID23254771
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate
SMILESCOCCOCOC(C)/C=C/C(=O)OC
InChIInChI=1S/C10H18O5/c1-9(4-5-10(11)13-3)15-8-14-7-6-12-2/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyPPGWSRBWMLSHNM-SNAWJCMRSA-N
XLogP0.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.74
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate?
The IUPAC name of methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate (CID 23254771) is methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate.
What is the SMILES notation for methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate?
The canonical SMILES for methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate is COCCOCOC(C)/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate?
The InChIKey is PPGWSRBWMLSHNM-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(4-5-10(11)13-3)15-8-14-7-6-12-2/h4-5,9H,6-8H2,1-3H3/b5-4+.
What are the key properties of methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate?
methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 0.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(2-methoxyethoxymethoxy)pent-2-enoate is sourced from PubChem (CID 23254771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).