3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol

C23H36O8 — CID 170966287

IUPAC3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol
SMILESCOCCOCCOCCOCCOCCOCCOc1cc(C)ccc1C#CCO
InChIInChI=1S/C23H36O8/c1-21-5-6-22(4-3-7-24)23(20-21)31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-2/h5-6,20,24H,7-19H2,1-2H3
InChIKeyMWEICDUDESVXBY-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.45
Rot. Bonds19

About 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol

3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol (PubChem CID 170966287) has the molecular formula C23H36O8 and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol
PubChem CID170966287
Molecular FormulaC23H36O8
Molecular Weight440.53 g/mol
Exact Mass440.24
IUPAC Name3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol
SMILESCOCCOCCOCCOCCOCCOCCOc1cc(C)ccc1C#CCO
InChIInChI=1S/C23H36O8/c1-21-5-6-22(4-3-7-24)23(20-21)31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-2/h5-6,20,24H,7-19H2,1-2H3
InChIKeyMWEICDUDESVXBY-UHFFFAOYSA-N
XLogP1.45
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 174206890
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 60800596
3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-(3-chloroprop-1-ynyl)-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103411422
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N,5-dimethylbenzamide
CID 81111937
2-(4-chlorobut-1-ynyl)-1-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzene
CID 103181814
2-(3-hydroxyprop-1-ynyl)-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81111473
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol (CID 170966287) is 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol is COCCOCCOCCOCCOCCOCCOc1cc(C)ccc1C#CCO.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol?
The InChIKey is MWEICDUDESVXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O8/c1-21-5-6-22(4-3-7-24)23(20-21)31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-2/h5-6,20,24H,7-19H2,1-2H3.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol?
3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol has a molecular weight of 440.53 g/mol, XLogP of 1.45, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 170966287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).