2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate

C14H24O5 — CID 57141112

IUPAC2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate
SMILESCOC=CC=C(CCCCOC)C(=O)OCCOC
InChIInChI=1S/C14H24O5/c1-16-9-5-4-7-13(8-6-10-17-2)14(15)19-12-11-18-3/h6,8,10H,4-5,7,9,11-12H2,1-3H3
InChIKeyJJPUKHPFZYZXFW-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds11

About 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate

2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate (PubChem CID 57141112) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate.

Molecular Properties

Compound Name2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate
PubChem CID57141112
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate
SMILESCOC=CC=C(CCCCOC)C(=O)OCCOC
InChIInChI=1S/C14H24O5/c1-16-9-5-4-7-13(8-6-10-17-2)14(15)19-12-11-18-3/h6,8,10H,4-5,7,9,11-12H2,1-3H3
InChIKeyJJPUKHPFZYZXFW-UHFFFAOYSA-N
XLogP2.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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diethyl (E)-2-butylbut-2-enedioate
CID 12644238
Diethyl 2-1-butylmaleate
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Propylpyranone
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Pentylpyron
CID 54477340
Ethyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 85647805
Dimethyl cyclohexa-1,3-diene-1,4-dicarboxylate
CID 4166453
dibutyl (Z)-2-butylbut-2-enedioate
CID 10401632
dimethyl (2Z)-2-butyl-2-butenedioate
CID 11019879

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate?
The IUPAC name of 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate (CID 57141112) is 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate.
What is the SMILES notation for 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate?
The canonical SMILES for 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate is COC=CC=C(CCCCOC)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate?
The InChIKey is JJPUKHPFZYZXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-16-9-5-4-7-13(8-6-10-17-2)14(15)19-12-11-18-3/h6,8,10H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate?
2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-methoxy-2-(3-methoxyprop-2-enylidene)hexanoate is sourced from PubChem (CID 57141112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).