4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one

C10H18O5 — CID 142665431

IUPAC4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)C(O)COCCOCCO
InChIInChI=1S/C10H18O5/c1-8(2)10(13)9(12)7-15-6-5-14-4-3-11/h9,11-12H,1,3-7H2,2H3
InChIKeyMOKUGCDAEDEQEA-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.48
Rot. Bonds9

About 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one

4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one (PubChem CID 142665431) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one
PubChem CID142665431
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)C(O)COCCOCCO
InChIInChI=1S/C10H18O5/c1-8(2)10(13)9(12)7-15-6-5-14-4-3-11/h9,11-12H,1,3-7H2,2H3
InChIKeyMOKUGCDAEDEQEA-UHFFFAOYSA-N
XLogP-0.48
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(2-hydroxyethoxy)ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoate)
CID 18957552
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
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
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
fluoroform;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-methylprop-2-enoic acid)
CID 160564072
[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate
CID 18377815
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one?
The IUPAC name of 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one (CID 142665431) is 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one.
What is the SMILES notation for 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one?
The canonical SMILES for 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one is C=C(C)C(=O)C(O)COCCOCCO.
What is the InChIKey of 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one?
The InChIKey is MOKUGCDAEDEQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-8(2)10(13)9(12)7-15-6-5-14-4-3-11/h9,11-12H,1,3-7H2,2H3.
What are the key properties of 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one?
4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one has a molecular weight of 218.25 g/mol, XLogP of -0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one is sourced from PubChem (CID 142665431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).