2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate

C34H58O11 — CID 175367265

IUPAC2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate
SMILESC=C(Oc1ccc(CCCCCCCCC)cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C34H58O11/c1-3-4-5-6-7-8-9-10-32-11-13-33(14-12-32)45-31(2)34(36)44-30-29-43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-35/h11-14,35H,2-10,15-30H2,1H3
InChIKeyOSFKZKCYHVGYPZ-UHFFFAOYSA-N
MW642.83 g/mol
LogP4.52
Rot. Bonds34

About 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate (PubChem CID 175367265) has the molecular formula C34H58O11 and a molecular weight of 642.83 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate
PubChem CID175367265
Molecular FormulaC34H58O11
Molecular Weight642.83 g/mol
Exact Mass642.40
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate
SMILESC=C(Oc1ccc(CCCCCCCCC)cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C34H58O11/c1-3-4-5-6-7-8-9-10-32-11-13-33(14-12-32)45-31(2)34(36)44-30-29-43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-35/h11-14,35H,2-10,15-30H2,1H3
InChIKeyOSFKZKCYHVGYPZ-UHFFFAOYSA-N
XLogP4.52
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds34
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(4-nonylphenoxy)prop-2-enoate
CID 175544092
2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 100958381
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
butyl 2-phenoxyprop-2-enoate
CID 134306076
butyl (4-decylphenyl) carbonate
CID 118690266
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
(4-decylphenyl) heptyl carbonate
CID 118690290
[4-[4-(4-octylphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 159911565
(4-decylphenyl) acetate
CID 57064765
bis(4-nonylphenyl) 2-methylidenebutanedioate
CID 70408162
2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 100992588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate (CID 175367265) is 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate is C=C(Oc1ccc(CCCCCCCCC)cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate?
The InChIKey is OSFKZKCYHVGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O11/c1-3-4-5-6-7-8-9-10-32-11-13-33(14-12-32)45-31(2)34(36)44-30-29-43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-35/h11-14,35H,2-10,15-30H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate?
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate has a molecular weight of 642.83 g/mol, XLogP of 4.52, 34 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(4-nonylphenoxy)prop-2-enoate is sourced from PubChem (CID 175367265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).