2-dodecoxyethyl 2-methylprop-2-enoate

C18H34O3 — CID 20594935

IUPAC2-dodecoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCCCCCCCCCC
InChIInChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(19)17(2)3/h2,4-16H2,1,3H3
InChIKeyWLEXMGAKQNCGQA-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.04
Rot. Bonds15

About 2-dodecoxyethyl 2-methylprop-2-enoate

2-dodecoxyethyl 2-methylprop-2-enoate (PubChem CID 20594935) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-dodecoxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-dodecoxyethyl 2-methylprop-2-enoate
PubChem CID20594935
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name2-dodecoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCCCCCCCCCC
InChIInChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(19)17(2)3/h2,4-16H2,1,3H3
InChIKeyWLEXMGAKQNCGQA-UHFFFAOYSA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-dodecoxyethyl 2-methylprop-2-enoate (CID 20594935) is 2-dodecoxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-dodecoxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-dodecoxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCCCCCCCCCCC.
What is the InChIKey of 2-dodecoxyethyl 2-methylprop-2-enoate?
The InChIKey is WLEXMGAKQNCGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(19)17(2)3/h2,4-16H2,1,3H3.
What are the key properties of 2-dodecoxyethyl 2-methylprop-2-enoate?
2-dodecoxyethyl 2-methylprop-2-enoate has a molecular weight of 298.47 g/mol, XLogP of 5.04, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20594935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).