ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate

C11H20O3 — CID 58052407

IUPACethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate
SMILESC=CCC(C)(CCOC)C(=O)OCC
InChIInChI=1S/C11H20O3/c1-5-7-11(3,8-9-13-4)10(12)14-6-2/h5H,1,6-9H2,2-4H3
InChIKeyOCNMUINUKYBHAA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds7

About ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate

ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate (PubChem CID 58052407) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate
PubChem CID58052407
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate
SMILESC=CCC(C)(CCOC)C(=O)OCC
InChIInChI=1S/C11H20O3/c1-5-7-11(3,8-9-13-4)10(12)14-6-2/h5H,1,6-9H2,2-4H3
InChIKeyOCNMUINUKYBHAA-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, 2-methyl-, 5-hexen-1-yl ester
CID 58240624
Ethyl 3,3-dimethylpent-4-enoate
CID 82262
Ethyl 1-allylcyclopropanecarboxylate
CID 12619317
Ethyl 2,2-dimethylhex-5-enoate
CID 14906730
Methyl 2,2-dimethylhex-5-enoate
CID 91621243
Ethyl 2-prop-2-enyl-2-prop-1-ynylpent-4-enoate
CID 13426812
5-Hexenoic acid, 3-methyl-, ethyl ester
CID 10866583
Ethyl 2-allylpent-4-enoate
CID 10877522
Methyl-2-allyl-butanolide
CID 10898804
Diethyl 2-prop-2-enylbutanedioate
CID 12003104
Ethyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 12624745
Methyl 3,3-dimethylhex-5-enoate
CID 12676513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate?
The IUPAC name of ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate (CID 58052407) is ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate.
What is the SMILES notation for ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate?
The canonical SMILES for ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate is C=CCC(C)(CCOC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate?
The InChIKey is OCNMUINUKYBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-11(3,8-9-13-4)10(12)14-6-2/h5H,1,6-9H2,2-4H3.
What are the key properties of ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate?
ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate is sourced from PubChem (CID 58052407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).