butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate

C12H20O5 — CID 86626547

IUPACbutyl prop-2-enoate;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCCC.C=CC(=O)OCCO
InChIInChI=1S/C7H12O2.C5H8O3/c1-3-5-6-9-7(8)4-2;1-2-5(7)8-4-3-6/h4H,2-3,5-6H2,1H3;2,6H,1,3-4H2
InChIKeyMHHVLUQNBMCCAS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.22
Rot. Bonds7

About butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate

butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate (PubChem CID 86626547) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Namebutyl prop-2-enoate;2-hydroxyethyl prop-2-enoate
PubChem CID86626547
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namebutyl prop-2-enoate;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCCC.C=CC(=O)OCCO
InChIInChI=1S/C7H12O2.C5H8O3/c1-3-5-6-9-7(8)4-2;1-2-5(7)8-4-3-6/h4H,2-3,5-6H2,1H3;2,6H,1,3-4H2
InChIKeyMHHVLUQNBMCCAS-UHFFFAOYSA-N
XLogP1.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate?
The IUPAC name of butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate (CID 86626547) is butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate?
The canonical SMILES for butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCCC.C=CC(=O)OCCO.
What is the InChIKey of butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate?
The InChIKey is MHHVLUQNBMCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H8O3/c1-3-5-6-9-7(8)4-2;1-2-5(7)8-4-3-6/h4H,2-3,5-6H2,1H3;2,6H,1,3-4H2.
What are the key properties of butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate?
butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 86626547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).