2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate

C22H34O4 — CID 69414913

IUPAC2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(CCCCCCCCC)COc1ccccc1
InChIInChI=1S/C22H34O4/c1-3-5-6-7-8-9-11-16-21(24-17-18-25-22(23)4-2)19-26-20-14-12-10-13-15-20/h4,10,12-15,21H,2-3,5-9,11,16-19H2,1H3
InChIKeyHRRBOCVYEOWWLT-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.32
Rot. Bonds16

About 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate

2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate (PubChem CID 69414913) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
PubChem CID69414913
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(CCCCCCCCC)COc1ccccc1
InChIInChI=1S/C22H34O4/c1-3-5-6-7-8-9-11-16-21(24-17-18-25-22(23)4-2)19-26-20-14-12-10-13-15-20/h4,10,12-15,21H,2-3,5-9,11,16-19H2,1H3
InChIKeyHRRBOCVYEOWWLT-UHFFFAOYSA-N
XLogP5.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631
(1-ethoxy-3-phenoxypropan-2-yl) 4-prop-2-enoyloxybutanoate
CID 159802316
styrene;tridecyl prop-2-enoate
CID 70120047
docosan-11-yl prop-2-enoate;styrene
CID 175112193
1-phenoxysulfonyloxydecan-4-yl prop-2-enoate
CID 174749972
[1-(4-ethoxybutoxy)-3-phenoxypropan-2-yl] 4-prop-2-enoyloxybutanoate
CID 159786744
1-phenoxydecan-2-yl dihydrogen phosphate
CID 122612592
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
bis(butyl prop-2-enoate);styrene
CID 175337841
butyl prop-2-enoate;styrene
CID 68545727
5-(1-hexadecoxy-3-phenoxypropan-2-yl)oxypentanoic acid
CID 90243035

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate (CID 69414913) is 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC(CCCCCCCCC)COc1ccccc1.
What is the InChIKey of 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate?
The InChIKey is HRRBOCVYEOWWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-3-5-6-7-8-9-11-16-21(24-17-18-25-22(23)4-2)19-26-20-14-12-10-13-15-20/h4,10,12-15,21H,2-3,5-9,11,16-19H2,1H3.
What are the key properties of 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate?
2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate has a molecular weight of 362.51 g/mol, XLogP of 5.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate is sourced from PubChem (CID 69414913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).