2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid

C16H30O9 — CID 157258625

IUPAC2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid
SMILESC=C(OCCCC)C(=O)O.C=CC(=O)O.OCCOCCOCCO
InChIInChI=1S/C7H12O3.C6H14O4.C3H4O2/c1-3-4-5-10-6(2)7(8)9;7-1-3-9-5-6-10-4-2-8;1-2-3(4)5/h2-5H2,1H3,(H,8,9);7-8H,1-6H2;2H,1H2,(H,4,5)
InChIKeyAXEOSDNBHYXTSA-UHFFFAOYSA-N
MW366.41 g/mol
LogP0.66
Rot. Bonds13

About 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid

2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid (PubChem CID 157258625) has the molecular formula C16H30O9 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid.

Molecular Properties

Compound Name2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid
PubChem CID157258625
Molecular FormulaC16H30O9
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Name2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid
SMILESC=C(OCCCC)C(=O)O.C=CC(=O)O.OCCOCCOCCO
InChIInChI=1S/C7H12O3.C6H14O4.C3H4O2/c1-3-4-5-10-6(2)7(8)9;7-1-3-9-5-6-10-4-2-8;1-2-3(4)5/h2-5H2,1H3,(H,8,9);7-8H,1-6H2;2H,1H2,(H,4,5)
InChIKeyAXEOSDNBHYXTSA-UHFFFAOYSA-N
XLogP0.66
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 173223489
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;prop-2-enoic acid
CID 88626214
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid
CID 173025781
1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
CID 88661046
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
butyl prop-2-enoate;2-methylidenehexanoic acid;prop-2-enoic acid
CID 160957127
bis(2-methylprop-2-enoic acid);2-pentoxyethanol
CID 22218874

Frequently Asked Questions

What is the IUPAC name of 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
The IUPAC name of 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid (CID 157258625) is 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid.
What is the SMILES notation for 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
The canonical SMILES for 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid is C=C(OCCCC)C(=O)O.C=CC(=O)O.OCCOCCOCCO.
What is the InChIKey of 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
The InChIKey is AXEOSDNBHYXTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H14O4.C3H4O2/c1-3-4-5-10-6(2)7(8)9;7-1-3-9-5-6-10-4-2-8;1-2-3(4)5/h2-5H2,1H3,(H,8,9);7-8H,1-6H2;2H,1H2,(H,4,5).
What are the key properties of 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid has a molecular weight of 366.41 g/mol, XLogP of 0.66, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid is sourced from PubChem (CID 157258625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).