2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C35H53NO11 — CID 170976063

IUPAC2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCc1cc(C)c(C2=C(O)C3(CCC(OC4CCN(CCOCCOCCOCCOCCOCC(=O)O)CC4)CC3)OC2=O)c(C)c1
InChIInChI=1S/C35H53NO11/c1-25-22-26(2)31(27(3)23-25)32-33(39)35(47-34(32)40)8-4-28(5-9-35)46-29-6-10-36(11-7-29)12-13-41-14-15-42-16-17-43-18-19-44-20-21-45-24-30(37)38/h22-23,28-29,39H,4-21,24H2,1-3H3,(H,37,38)
InChIKeyCVHFUYWWJRBNQE-UHFFFAOYSA-N
MW663.80 g/mol
LogP3.77
Rot. Bonds20

About 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 170976063) has the molecular formula C35H53NO11 and a molecular weight of 663.80 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID170976063
Molecular FormulaC35H53NO11
Molecular Weight663.80 g/mol
Exact Mass663.36
IUPAC Name2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCc1cc(C)c(C2=C(O)C3(CCC(OC4CCN(CCOCCOCCOCCOCCOCC(=O)O)CC4)CC3)OC2=O)c(C)c1
InChIInChI=1S/C35H53NO11/c1-25-22-26(2)31(27(3)23-25)32-33(39)35(47-34(32)40)8-4-28(5-9-35)46-29-6-10-36(11-7-29)12-13-41-14-15-42-16-17-43-18-19-44-20-21-45-24-30(37)38/h22-23,28-29,39H,4-21,24H2,1-3H3,(H,37,38)
InChIKeyCVHFUYWWJRBNQE-UHFFFAOYSA-N
XLogP3.77
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.80
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 170976063) is 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is Cc1cc(C)c(C2=C(O)C3(CCC(OC4CCN(CCOCCOCCOCCOCCOCC(=O)O)CC4)CC3)OC2=O)c(C)c1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is CVHFUYWWJRBNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53NO11/c1-25-22-26(2)31(27(3)23-25)32-33(39)35(47-34(32)40)8-4-28(5-9-35)46-29-6-10-36(11-7-29)12-13-41-14-15-42-16-17-43-18-19-44-20-21-45-24-30(37)38/h22-23,28-29,39H,4-21,24H2,1-3H3,(H,37,38).
What are the key properties of 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 663.80 g/mol, XLogP of 3.77, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[4-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 170976063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).