acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid

C12H20O8 — CID 174807488

IUPACacetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
SMILESC=C(C)C(=O)OC(C)=O.O=C(O)COCCOCCO
InChIInChI=1S/C6H12O5.C6H8O3/c7-1-2-10-3-4-11-5-6(8)9;1-4(2)6(8)9-5(3)7/h7H,1-5H2,(H,8,9);1H2,2-3H3
InChIKeyNHZUPQIPHWTPNU-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.25
Rot. Bonds8

About acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid

acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid (PubChem CID 174807488) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Nameacetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
PubChem CID174807488
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Nameacetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
SMILESC=C(C)C(=O)OC(C)=O.O=C(O)COCCOCCO
InChIInChI=1S/C6H12O5.C6H8O3/c7-1-2-10-3-4-11-5-6(8)9;1-4(2)6(8)9-5(3)7/h7H,1-5H2,(H,8,9);1H2,2-3H3
InChIKeyNHZUPQIPHWTPNU-UHFFFAOYSA-N
XLogP-0.25
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
2-[2-(2-methylprop-2-enoyloxy)ethoxy]acetic acid
CID 23168599
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88625291
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoic acid)
CID 173364076
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88626217
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
2-(2-hydroxyethoxy)ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoate)
CID 18957552
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
fluoroform;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-methylprop-2-enoic acid)
CID 160564072

Frequently Asked Questions

What is the IUPAC name of acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid?
The IUPAC name of acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid (CID 174807488) is acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid.
What is the SMILES notation for acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid?
The canonical SMILES for acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid is C=C(C)C(=O)OC(C)=O.O=C(O)COCCOCCO.
What is the InChIKey of acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid?
The InChIKey is NHZUPQIPHWTPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5.C6H8O3/c7-1-2-10-3-4-11-5-6(8)9;1-4(2)6(8)9-5(3)7/h7H,1-5H2,(H,8,9);1H2,2-3H3.
What are the key properties of acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid?
acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid has a molecular weight of 292.28 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid is sourced from PubChem (CID 174807488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).