ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene

C20H30O6 — CID 67895775

IUPACethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene
SMILESC=Cc1ccccc1.CC=C(C)C(=O)O.CC=C(C)C(=O)O.OCCO
InChIInChI=1S/C8H8.2C5H8O2.C2H6O2/c1-2-8-6-4-3-5-7-8;2*1-3-4(2)5(6)7;3-1-2-4/h2-7H,1H2;2*3H,1-2H3,(H,6,7);3-4H,1-2H2
InChIKeyXPGWSAWKDSUVBV-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.38
Rot. Bonds4

About ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene

ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene (PubChem CID 67895775) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene.

Molecular Properties

Compound Nameethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene
PubChem CID67895775
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Nameethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene
SMILESC=Cc1ccccc1.CC=C(C)C(=O)O.CC=C(C)C(=O)O.OCCO
InChIInChI=1S/C8H8.2C5H8O2.C2H6O2/c1-2-8-6-4-3-5-7-8;2*1-3-4(2)5(6)7;3-1-2-4/h2-7H,1H2;2*3H,1-2H3,(H,6,7);3-4H,1-2H2
InChIKeyXPGWSAWKDSUVBV-UHFFFAOYSA-N
XLogP3.38
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid);styrene
CID 67644333
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
but-2-enedioic acid;ethane-1,2-diol;styrene
CID 157276113
hept-2-enoic acid;2-methylbut-2-enoic acid;styrene
CID 67206823
buta-1,3-diene;(E)-2-methylpent-2-enoic acid;styrene
CID 87554778
5-hydroxy-2-methylpent-2-enoic acid;prop-2-enenitrile;styrene
CID 67678701
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
(E)-2-methylbut-2-enoic acid;(E)-2-methylhept-2-enoic acid;2-methylidenehexanoic acid;styrene
CID 70183777
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
CID 173015900
anthracene;2-methylprop-2-enoic acid;styrene
CID 159809199
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenehexanoic acid;styrene
CID 67928086
2-hydroxyprop-2-enoic acid;styrene
CID 67611169

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene?
The IUPAC name of ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene (CID 67895775) is ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene.
What is the SMILES notation for ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene?
The canonical SMILES for ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene is C=Cc1ccccc1.CC=C(C)C(=O)O.CC=C(C)C(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene?
The InChIKey is XPGWSAWKDSUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.2C5H8O2.C2H6O2/c1-2-8-6-4-3-5-7-8;2*1-3-4(2)5(6)7;3-1-2-4/h2-7H,1H2;2*3H,1-2H3,(H,6,7);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene?
ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene has a molecular weight of 366.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(2-methylbut-2-enoic acid);styrene is sourced from PubChem (CID 67895775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).