1,2-dimethoxyethane;methyl 2-methylprop-2-enoate

C9H18O4 — CID 175106203

IUPAC1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.COCCOC
InChIInChI=1S/C5H8O2.C4H10O2/c1-4(2)5(6)7-3;1-5-3-4-6-2/h1H2,2-3H3;3-4H2,1-2H3
InChIKeyFJUCZORIQMBJIP-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.01
Rot. Bonds4

About 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate

1,2-dimethoxyethane;methyl 2-methylprop-2-enoate (PubChem CID 175106203) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
PubChem CID175106203
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.COCCOC
InChIInChI=1S/C5H8O2.C4H10O2/c1-4(2)5(6)7-3;1-5-3-4-6-2/h1H2,2-3H3;3-4H2,1-2H3
InChIKeyFJUCZORIQMBJIP-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.01
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

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
CID 10047362

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate?
The IUPAC name of 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate (CID 175106203) is 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate?
The InChIKey is FJUCZORIQMBJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H10O2/c1-4(2)5(6)7-3;1-5-3-4-6-2/h1H2,2-3H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate?
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate has a molecular weight of 190.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 175106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).