1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone

C24H38O8 — CID 122582585

IUPAC1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
SMILESCC(=O)c1cccc(COCCOCCOCCOCCOCCOC2CCCCO2)c1
InChIInChI=1S/C24H38O8/c1-21(25)23-6-4-5-22(19-23)20-30-16-15-28-12-11-26-9-10-27-13-14-29-17-18-32-24-7-2-3-8-31-24/h4-6,19,24H,2-3,7-18,20H2,1H3
InChIKeySZDWMPDXCYYHDS-UHFFFAOYSA-N
MW454.56 g/mol
LogP3.02
Rot. Bonds19

About 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone

1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone (PubChem CID 122582585) has the molecular formula C24H38O8 and a molecular weight of 454.56 g/mol. Its IUPAC name is 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
PubChem CID122582585
Molecular FormulaC24H38O8
Molecular Weight454.56 g/mol
Exact Mass454.26
IUPAC Name1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
SMILESCC(=O)c1cccc(COCCOCCOCCOCCOCCOC2CCCCO2)c1
InChIInChI=1S/C24H38O8/c1-21(25)23-6-4-5-22(19-23)20-30-16-15-28-12-11-26-9-10-27-13-14-29-17-18-32-24-7-2-3-8-31-24/h4-6,19,24H,2-3,7-18,20H2,1H3
InChIKeySZDWMPDXCYYHDS-UHFFFAOYSA-N
XLogP3.02
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
3-methyl-2-[2-(oxan-2-yloxy)ethoxymethyl]benzoic acid
CID 122573168
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
N-methoxy-N-methyl-2-[[4-[2-(oxan-2-yloxy)ethoxymethyl]phenyl]methoxy]acetamide
CID 166564758
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]oxane
CID 122547467
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone (CID 122582585) is 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone is CC(=O)c1cccc(COCCOCCOCCOCCOCCOC2CCCCO2)c1.
What is the InChIKey of 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone?
The InChIKey is SZDWMPDXCYYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O8/c1-21(25)23-6-4-5-22(19-23)20-30-16-15-28-12-11-26-9-10-27-13-14-29-17-18-32-24-7-2-3-8-31-24/h4-6,19,24H,2-3,7-18,20H2,1H3.
What are the key properties of 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone?
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone has a molecular weight of 454.56 g/mol, XLogP of 3.02, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone is sourced from PubChem (CID 122582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).