1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid

C16H32O7 — CID 88724515

IUPAC1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCOC(O)COCCOCCO
InChIInChI=1S/C12H26O5.C4H6O2/c1-2-3-4-5-7-17-12(14)11-16-10-9-15-8-6-13;1-3(2)4(5)6/h12-14H,2-11H2,1H3;1H2,2H3,(H,5,6)
InChIKeyOPLSYPDFGSIXES-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.57
Rot. Bonds14

About 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid

1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid (PubChem CID 88724515) has the molecular formula C16H32O7 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
PubChem CID88724515
Molecular FormulaC16H32O7
Molecular Weight336.43 g/mol
Exact Mass336.21
IUPAC Name1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCOC(O)COCCOCCO
InChIInChI=1S/C12H26O5.C4H6O2/c1-2-3-4-5-7-17-12(14)11-16-10-9-15-8-6-13;1-3(2)4(5)6/h12-14H,2-11H2,1H3;1H2,2H3,(H,5,6)
InChIKeyOPLSYPDFGSIXES-UHFFFAOYSA-N
XLogP1.57
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
bis(2-methylprop-2-enoic acid);2-pentoxyethanol
CID 22218874
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl prop-2-enoate
CID 158731688
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-[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-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902
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
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid?
The IUPAC name of 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid (CID 88724515) is 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid?
The canonical SMILES for 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCCCCOC(O)COCCOCCO.
What is the InChIKey of 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid?
The InChIKey is OPLSYPDFGSIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5.C4H6O2/c1-2-3-4-5-7-17-12(14)11-16-10-9-15-8-6-13;1-3(2)4(5)6/h12-14H,2-11H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid?
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid has a molecular weight of 336.43 g/mol, XLogP of 1.57, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 88724515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).