2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene

C25H38O9 — CID 67644333

IUPAC2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=Cc1ccccc1.CC=C(C)C(=O)O.OCCOCCO
InChIInChI=1S/C8H8.C5H8O2.C4H10O3.2C4H6O2/c1-2-8-6-4-3-5-7-8;1-3-4(2)5(6)7;5-1-3-7-4-2-6;2*1-3(2)4(5)6/h2-7H,1H2;3H,1-2H3,(H,6,7);5-6H,1-4H2;2*1H2,2H3,(H,5,6)
InChIKeyLTOMXQBADRHSIU-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.65
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene

2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene (PubChem CID 67644333) has the molecular formula C25H38O9 and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene
PubChem CID67644333
Molecular FormulaC25H38O9
Molecular Weight482.57 g/mol
Exact Mass482.25
IUPAC Name2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=Cc1ccccc1.CC=C(C)C(=O)O.OCCOCCO
InChIInChI=1S/C8H8.C5H8O2.C4H10O3.2C4H6O2/c1-2-8-6-4-3-5-7-8;1-3-4(2)5(6)7;5-1-3-7-4-2-6;2*1-3(2)4(5)6/h2-7H,1H2;3H,1-2H3,(H,6,7);5-6H,1-4H2;2*1H2,2H3,(H,5,6)
InChIKeyLTOMXQBADRHSIU-UHFFFAOYSA-N
XLogP3.65
TPSA161.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene
CID 67895775
bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 174624671
ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 174938125
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
CID 173015900
anthracene;2-methylprop-2-enoic acid;styrene
CID 159809199
5-(2-hydroxyethoxycarbonyl)-2-methylhexa-2,5-dienoic acid;methyl 2-methylprop-2-enoate;styrene
CID 118105806
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-[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-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene (CID 67644333) is 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene is C=C(C)C(=O)O.C=C(C)C(=O)O.C=Cc1ccccc1.CC=C(C)C(=O)O.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene?
The InChIKey is LTOMXQBADRHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H8O2.C4H10O3.2C4H6O2/c1-2-8-6-4-3-5-7-8;1-3-4(2)5(6)7;5-1-3-7-4-2-6;2*1-3(2)4(5)6/h2-7H,1H2;3H,1-2H3,(H,6,7);5-6H,1-4H2;2*1H2,2H3,(H,5,6).
What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene?
2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene has a molecular weight of 482.57 g/mol, XLogP of 3.65, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene is sourced from PubChem (CID 67644333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).