ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate

C12H22O4 — CID 112586950

IUPACethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
SMILESC=C(COCCOC(C)(C)C)C(=O)OCC
InChIInChI=1S/C12H22O4/c1-6-15-11(13)10(2)9-14-7-8-16-12(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyLCLZAYBYGAMVTA-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.94
Rot. Bonds7

About ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate

ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate (PubChem CID 112586950) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
PubChem CID112586950
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
SMILESC=C(COCCOC(C)(C)C)C(=O)OCC
InChIInChI=1S/C12H22O4/c1-6-15-11(13)10(2)9-14-7-8-16-12(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyLCLZAYBYGAMVTA-UHFFFAOYSA-N
XLogP1.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
CID 141483564
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
CID 139681010
ethyl 2-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]methyl]prop-2-enoate
CID 168844951
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
CID 87600703
ethyl 2-[1,1-bis(diethoxyphosphoryl)ethoxymethyl]prop-2-enoate
CID 102220205
2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 139630888
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate?
The IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate (CID 112586950) is ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate is C=C(COCCOC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate?
The InChIKey is LCLZAYBYGAMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-6-15-11(13)10(2)9-14-7-8-16-12(3,4)5/h2,6-9H2,1,3-5H3.
What are the key properties of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate?
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate has a molecular weight of 230.30 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate is sourced from PubChem (CID 112586950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).