prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate

C10H14O5 — CID 174919067

IUPACprop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate
SMILESC=CC(=O)OC(=O)C(C)=C(O)OCCC
InChIInChI=1S/C10H14O5/c1-4-6-14-9(12)7(3)10(13)15-8(11)5-2/h5,12H,2,4,6H2,1,3H3
InChIKeyMGXMCYXYMXBVKY-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.46
Rot. Bonds5

About prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate

prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate (PubChem CID 174919067) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate
PubChem CID174919067
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameprop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate
SMILESC=CC(=O)OC(=O)C(C)=C(O)OCCC
InChIInChI=1S/C10H14O5/c1-4-6-14-9(12)7(3)10(13)15-8(11)5-2/h5,12H,2,4,6H2,1,3H3
InChIKeyMGXMCYXYMXBVKY-UHFFFAOYSA-N
XLogP1.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;propyl prop-2-enoate
CID 87571569
prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 87154660
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
azane;prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 175698195
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate
CID 141320974
ethenoxyethene;propyl prop-2-enoate
CID 174744389
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate
CID 174910675
acetyl prop-2-enoate;ethene
CID 157340658

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
The IUPAC name of prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate (CID 174919067) is prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate.
What is the SMILES notation for prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
The canonical SMILES for prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate is C=CC(=O)OC(=O)C(C)=C(O)OCCC.
What is the InChIKey of prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
The InChIKey is MGXMCYXYMXBVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-6-14-9(12)7(3)10(13)15-8(11)5-2/h5,12H,2,4,6H2,1,3H3.
What are the key properties of prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate?
prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 3-hydroxy-2-methyl-3-propoxyprop-2-enoate is sourced from PubChem (CID 174919067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).