2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid

C24H46O10 — CID 175496622

IUPAC2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
SMILESC=C(C)C(=O)OCC(CC)CCCC.C=CC(=O)O.COC(O)COCCOCCOCCO
InChIInChI=1S/C12H22O2.C9H20O6.C3H4O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-12-9(11)8-15-7-6-14-5-4-13-3-2-10;1-2-3(4)5/h11H,3,5-9H2,1-2,4H3;9-11H,2-8H2,1H3;2H,1H2,(H,4,5)
InChIKeySGUZXFUDCXPNIQ-UHFFFAOYSA-N
MW494.62 g/mol
LogP2.57
Rot. Bonds19

About 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid

2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid (PubChem CID 175496622) has the molecular formula C24H46O10 and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid.

Molecular Properties

Compound Name2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
PubChem CID175496622
Molecular FormulaC24H46O10
Molecular Weight494.62 g/mol
Exact Mass494.31
IUPAC Name2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
SMILESC=C(C)C(=O)OCC(CC)CCCC.C=CC(=O)O.COC(O)COCCOCCOCCO
InChIInChI=1S/C12H22O2.C9H20O6.C3H4O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-12-9(11)8-15-7-6-14-5-4-13-3-2-10;1-2-3(4)5/h11H,3,5-9H2,1-2,4H3;9-11H,2-8H2,1H3;2H,1H2,(H,4,5)
InChIKeySGUZXFUDCXPNIQ-UHFFFAOYSA-N
XLogP2.57
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
CID 175496624
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
CID 175496640
dodecyl 2-methylprop-2-enoate;ethane;2-ethylhexyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;bis(2-hydroxyethyl prop-2-enoate)
CID 167596722
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 159327689
1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
CID 88661046
2-ethylhexyl 2-methylidenebutanoate;prop-2-enoic acid
CID 134325468
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
(2-ethyl-6-hydroxyhexyl) 2-methylprop-2-enoate
CID 87140924
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?
The IUPAC name of 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid (CID 175496622) is 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid.
What is the SMILES notation for 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?
The canonical SMILES for 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid is C=C(C)C(=O)OCC(CC)CCCC.C=CC(=O)O.COC(O)COCCOCCOCCO.
What is the InChIKey of 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?
The InChIKey is SGUZXFUDCXPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C9H20O6.C3H4O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-12-9(11)8-15-7-6-14-5-4-13-3-2-10;1-2-3(4)5/h11H,3,5-9H2,1-2,4H3;9-11H,2-8H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?
2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid has a molecular weight of 494.62 g/mol, XLogP of 2.57, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-methylprop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid is sourced from PubChem (CID 175496622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).