2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate

C15H24O4 — CID 88560437

IUPAC2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
SMILESC=COCCOCCOC(=O)C(C=C(C)C)=C(C)C
InChIInChI=1S/C15H24O4/c1-6-17-7-8-18-9-10-19-15(16)14(13(4)5)11-12(2)3/h6,11H,1,7-10H2,2-5H3
InChIKeyRTISMDCDLNCHDM-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.01
Rot. Bonds9

About 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate

2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate (PubChem CID 88560437) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
PubChem CID88560437
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
SMILESC=COCCOCCOC(=O)C(C=C(C)C)=C(C)C
InChIInChI=1S/C15H24O4/c1-6-17-7-8-18-9-10-19-15(16)14(13(4)5)11-12(2)3/h6,11H,1,7-10H2,2-5H3
InChIKeyRTISMDCDLNCHDM-UHFFFAOYSA-N
XLogP3.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
The IUPAC name of 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate (CID 88560437) is 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate.
What is the SMILES notation for 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
The canonical SMILES for 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate is C=COCCOCCOC(=O)C(C=C(C)C)=C(C)C.
What is the InChIKey of 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
The InChIKey is RTISMDCDLNCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-17-7-8-18-9-10-19-15(16)14(13(4)5)11-12(2)3/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate is sourced from PubChem (CID 88560437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).