methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate

C24H36O10 — CID 174206890

IUPACmethyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
SMILESCOCCOCCOCCOCCOCCOCCOc1cc(C(=O)OC)ccc1C#CCO
InChIInChI=1S/C24H36O10/c1-27-8-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-19-34-23-20-22(24(26)28-2)6-5-21(23)4-3-7-25/h5-6,20,25H,7-19H2,1-2H3
InChIKeyCIUSDPGQXHJXKJ-UHFFFAOYSA-N
MW484.54 g/mol
LogP0.93
Rot. Bonds20

About methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate

methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate (PubChem CID 174206890) has the molecular formula C24H36O10 and a molecular weight of 484.54 g/mol. Its IUPAC name is methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
PubChem CID174206890
Molecular FormulaC24H36O10
Molecular Weight484.54 g/mol
Exact Mass484.23
IUPAC Namemethyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
SMILESCOCCOCCOCCOCCOCCOCCOc1cc(C(=O)OC)ccc1C#CCO
InChIInChI=1S/C24H36O10/c1-27-8-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-19-34-23-20-22(24(26)28-2)6-5-21(23)4-3-7-25/h5-6,20,25H,7-19H2,1-2H3
InChIKeyCIUSDPGQXHJXKJ-UHFFFAOYSA-N
XLogP0.93
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol
CID 170966287
methyl 3-cyano-4-(2-methoxyethoxy)benzoate
CID 163228135
methyl 4-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 170966297
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
CID 141235728
3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
4-(3,3-dimethylbut-1-ynyl)-3-[2-(2-methoxyethoxy)ethoxy]-N-sulfonylbenzamide
CID 87183765
methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
methyl 3-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-hydroxybenzoate
CID 11347717
methyl 3-amino-4-[2-(3-methylbutoxy)ethoxy]benzoate
CID 61484298

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
The IUPAC name of methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate (CID 174206890) is methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
The canonical SMILES for methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate is COCCOCCOCCOCCOCCOCCOc1cc(C(=O)OC)ccc1C#CCO.
What is the InChIKey of methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
The InChIKey is CIUSDPGQXHJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O10/c1-27-8-9-29-10-11-30-12-13-31-14-15-32-16-17-33-18-19-34-23-20-22(24(26)28-2)6-5-21(23)4-3-7-25/h5-6,20,25H,7-19H2,1-2H3.
What are the key properties of methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate has a molecular weight of 484.54 g/mol, XLogP of 0.93, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate is sourced from PubChem (CID 174206890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).