2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate

C8H10O3 — CID 176518071

IUPAC2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate
SMILESC=C=C(O)COC(=O)C(=C)C
InChIInChI=1S/C8H10O3/c1-4-7(9)5-11-8(10)6(2)3/h9H,1-2,5H2,3H3
InChIKeyBLEBVADMMLAREE-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.33
Rot. Bonds3

About 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate

2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate (PubChem CID 176518071) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate
PubChem CID176518071
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate
SMILESC=C=C(O)COC(=O)C(=C)C
InChIInChI=1S/C8H10O3/c1-4-7(9)5-11-8(10)6(2)3/h9H,1-2,5H2,3H3
InChIKeyBLEBVADMMLAREE-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
2-cyanoprop-2-enyl 2-methylprop-2-enoate
CID 141043475
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
2-[2-(2-methylprop-2-enoyloxy)ethoxy]acetic acid
CID 23168599
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-[2-[2-(dipropylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139824188
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate (CID 176518071) is 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate is C=C=C(O)COC(=O)C(=C)C.
What is the InChIKey of 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate?
The InChIKey is BLEBVADMMLAREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-7(9)5-11-8(10)6(2)3/h9H,1-2,5H2,3H3.
What are the key properties of 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate?
2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate has a molecular weight of 154.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate is sourced from PubChem (CID 176518071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).