2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate

C16H28O6 — CID 175881234

IUPAC2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC.CCC=C(CCOCC)C(=O)O
InChIInChI=1S/C9H16O3.C7H12O3/c1-3-5-8(9(10)11)6-7-12-4-2;1-3-7(8)10-6-5-9-4-2/h5H,3-4,6-7H2,1-2H3,(H,10,11);3H,1,4-6H2,2H3
InChIKeyXKEFNISQIGLRAC-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.59
Rot. Bonds11

About 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate

2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate (PubChem CID 175881234) has the molecular formula C16H28O6 and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
PubChem CID175881234
Molecular FormulaC16H28O6
Molecular Weight316.39 g/mol
Exact Mass316.19
IUPAC Name2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC.CCC=C(CCOCC)C(=O)O
InChIInChI=1S/C9H16O3.C7H12O3/c1-3-5-8(9(10)11)6-7-12-4-2;1-3-7(8)10-6-5-9-4-2/h5H,3-4,6-7H2,1-2H3,(H,10,11);3H,1,4-6H2,2H3
InChIKeyXKEFNISQIGLRAC-UHFFFAOYSA-N
XLogP2.59
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.59
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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Related Compounds

2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
CID 175424652
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
CID 161209562
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
CID 91538853
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
6-methylheptyl prop-2-enoate;2-propylideneoctanoic acid
CID 161048560
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
CID 20793408
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate?
The IUPAC name of 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate (CID 175881234) is 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate.
What is the SMILES notation for 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate?
The canonical SMILES for 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate is C=CC(=O)OCCOCC.CCC=C(CCOCC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate?
The InChIKey is XKEFNISQIGLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C7H12O3/c1-3-5-8(9(10)11)6-7-12-4-2;1-3-7(8)10-6-5-9-4-2/h5H,3-4,6-7H2,1-2H3,(H,10,11);3H,1,4-6H2,2H3.
What are the key properties of 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate?
2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate has a molecular weight of 316.39 g/mol, XLogP of 2.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate is sourced from PubChem (CID 175881234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).