formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C40H58O12 — CID 170976469

IUPACformaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESC=O.Cc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCOCCOCCOCCOCCOCC(=O)O)CC3)OC2)c(C)c1
InChIInChI=1S/C39H56O11.CH2O/c1-30-25-31(2)37(32(3)26-30)35-28-50-39(38(35)49-27-33-7-5-4-6-8-33)11-9-34(10-12-39)48-24-23-46-20-19-44-16-15-42-13-14-43-17-18-45-21-22-47-29-36(40)41;1-2/h4-8,25-26,34H,9-24,27-29H2,1-3H3,(H,40,41);1H2
InChIKeyAEKGJILKULGFAZ-UHFFFAOYSA-N
MW730.89 g/mol
LogP5.27
Rot. Bonds25

About formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 170976469) has the molecular formula C40H58O12 and a molecular weight of 730.89 g/mol. Its IUPAC name is formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Nameformaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID170976469
Molecular FormulaC40H58O12
Molecular Weight730.89 g/mol
Exact Mass730.39
IUPAC Nameformaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESC=O.Cc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCOCCOCCOCCOCCOCC(=O)O)CC3)OC2)c(C)c1
InChIInChI=1S/C39H56O11.CH2O/c1-30-25-31(2)37(32(3)26-30)35-28-50-39(38(35)49-27-33-7-5-4-6-8-33)11-9-34(10-12-39)48-24-23-46-20-19-44-16-15-42-13-14-43-17-18-45-21-22-47-29-36(40)41;1-2/h4-8,25-26,34H,9-24,27-29H2,1-3H3,(H,40,41);1H2
InChIKeyAEKGJILKULGFAZ-UHFFFAOYSA-N
XLogP5.27
TPSA137.44 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.89
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid with MolForge

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Related Compounds

N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 174319920
tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate
CID 170976170
(E)-3-[4-[2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]ethoxy]cyclohexyl]-3-phenylmethoxy-2-(2,4,6-trimethylphenyl)prop-2-enoic acid
CID 170976391
2-[2-[2-[4-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid
CID 170976241
acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)
CID 170976076
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate
CID 163551079
benzyl (4R,5S)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 98745565

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 170976469) is formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is C=O.Cc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCOCCOCCOCCOCCOCC(=O)O)CC3)OC2)c(C)c1.
What is the InChIKey of formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is AEKGJILKULGFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56O11.CH2O/c1-30-25-31(2)37(32(3)26-30)35-28-50-39(38(35)49-27-33-7-5-4-6-8-33)11-9-34(10-12-39)48-24-23-46-20-19-44-16-15-42-13-14-43-17-18-45-21-22-47-29-36(40)41;1-2/h4-8,25-26,34H,9-24,27-29H2,1-3H3,(H,40,41);1H2.
What are the key properties of formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 730.89 g/mol, XLogP of 5.27, 25 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 170976469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).