2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate

C17H30O6 — CID 174792741

IUPAC2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC.C=CC(=O)OCCOCCOCC
InChIInChI=1S/C9H16O4.C8H14O2/c1-3-9(10)13-8-7-12-6-5-11-4-2;1-3-5-6-7-10-8(9)4-2/h3H,1,4-8H2,2H3;4H,2-3,5-7H2,1H3
InChIKeyDRZBJNVXVTZJET-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.67
Rot. Bonds13

About 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate

2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate (PubChem CID 174792741) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
PubChem CID174792741
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC.C=CC(=O)OCCOCCOCC
InChIInChI=1S/C9H16O4.C8H14O2/c1-3-9(10)13-8-7-12-6-5-11-4-2;1-3-5-6-7-10-8(9)4-2/h3H,1,4-8H2,2H3;4H,2-3,5-7H2,1H3
InChIKeyDRZBJNVXVTZJET-UHFFFAOYSA-N
XLogP2.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
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
5-hexoxypentyl prop-2-enoate
CID 141336215
6-ethoxyhexyl prop-2-enoate
CID 88877184
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate (CID 174792741) is 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate is C=CC(=O)OCCCCC.C=CC(=O)OCCOCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate?
The InChIKey is DRZBJNVXVTZJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C8H14O2/c1-3-9(10)13-8-7-12-6-5-11-4-2;1-3-5-6-7-10-8(9)4-2/h3H,1,4-8H2,2H3;4H,2-3,5-7H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate?
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate has a molecular weight of 330.42 g/mol, XLogP of 2.67, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate is sourced from PubChem (CID 174792741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).