2-docosoxyethyl prop-2-enoate

C27H52O3 — CID 87118947

IUPAC2-docosoxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C27H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25-26-30-27(28)4-2/h4H,2-3,5-26H2,1H3
InChIKeyCDPXUEXPFLKOPE-UHFFFAOYSA-N
MW424.71 g/mol
LogP8.55
Rot. Bonds25

About 2-docosoxyethyl prop-2-enoate

2-docosoxyethyl prop-2-enoate (PubChem CID 87118947) has the molecular formula C27H52O3 and a molecular weight of 424.71 g/mol. Its IUPAC name is 2-docosoxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-docosoxyethyl prop-2-enoate
PubChem CID87118947
Molecular FormulaC27H52O3
Molecular Weight424.71 g/mol
Exact Mass424.39
IUPAC Name2-docosoxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C27H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25-26-30-27(28)4-2/h4H,2-3,5-26H2,1H3
InChIKeyCDPXUEXPFLKOPE-UHFFFAOYSA-N
XLogP8.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
5-hexoxypentyl prop-2-enoate
CID 141336215
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
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
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
azane;octyl prop-2-enoate
CID 175482602

Frequently Asked Questions

What is the IUPAC name of 2-docosoxyethyl prop-2-enoate?
The IUPAC name of 2-docosoxyethyl prop-2-enoate (CID 87118947) is 2-docosoxyethyl prop-2-enoate.
What is the SMILES notation for 2-docosoxyethyl prop-2-enoate?
The canonical SMILES for 2-docosoxyethyl prop-2-enoate is C=CC(=O)OCCOCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-docosoxyethyl prop-2-enoate?
The InChIKey is CDPXUEXPFLKOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25-26-30-27(28)4-2/h4H,2-3,5-26H2,1H3.
What are the key properties of 2-docosoxyethyl prop-2-enoate?
2-docosoxyethyl prop-2-enoate has a molecular weight of 424.71 g/mol, XLogP of 8.55, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-docosoxyethyl prop-2-enoate is sourced from PubChem (CID 87118947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).