2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate

C22H42O6 — CID 102433631

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
SMILESC=CC(=O)OCC(CCCCCCCCCC)OCCOCCOCCOC
InChIInChI=1S/C22H42O6/c1-4-6-7-8-9-10-11-12-13-21(20-28-22(23)5-2)27-19-18-26-17-16-25-15-14-24-3/h5,21H,2,4,6-20H2,1,3H3
InChIKeyAOZYCOQXGYOIDI-UHFFFAOYSA-N
MW402.57 g/mol
LogP4.31
Rot. Bonds22

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate (PubChem CID 102433631) has the molecular formula C22H42O6 and a molecular weight of 402.57 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
PubChem CID102433631
Molecular FormulaC22H42O6
Molecular Weight402.57 g/mol
Exact Mass402.30
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
SMILESC=CC(=O)OCC(CCCCCCCCCC)OCCOCCOCCOC
InChIInChI=1S/C22H42O6/c1-4-6-7-8-9-10-11-12-13-21(20-28-22(23)5-2)27-19-18-26-17-16-25-15-14-24-3/h5,21H,2,4,6-20H2,1,3H3
InChIKeyAOZYCOQXGYOIDI-UHFFFAOYSA-N
XLogP4.31
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.31
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-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
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
bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193
2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
CID 69414913
7-methyltridecyl prop-2-enoate
CID 139834261
6-methyltetradecyl prop-2-enoate
CID 87169125
2-octyldecyl prop-2-enoate
CID 71353023
5-hexoxypentyl prop-2-enoate
CID 141336215
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate
CID 102161020
2-butyldodecyl prop-2-enoate
CID 141303705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate (CID 102433631) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate is C=CC(=O)OCC(CCCCCCCCCC)OCCOCCOCCOC.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate?
The InChIKey is AOZYCOQXGYOIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O6/c1-4-6-7-8-9-10-11-12-13-21(20-28-22(23)5-2)27-19-18-26-17-16-25-15-14-24-3/h5,21H,2,4,6-20H2,1,3H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate has a molecular weight of 402.57 g/mol, XLogP of 4.31, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate is sourced from PubChem (CID 102433631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).