3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

C36H74O13 — CID 155650334

IUPAC3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESCOCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
InChIInChI=1S/C36H74O13/c1-38-35-36-49-34-12-33-48-32-11-31-47-30-10-29-46-28-9-27-45-26-8-25-44-24-7-23-43-22-6-21-42-20-5-19-41-18-4-17-40-16-3-15-39-14-2-13-37/h37H,2-36H2,1H3
InChIKeyJOYRTLCXXQQPNX-UHFFFAOYSA-N
MW714.97 g/mol
LogP4.10
Rot. Bonds46

About 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 155650334) has the molecular formula C36H74O13 and a molecular weight of 714.97 g/mol. Its IUPAC name is 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
PubChem CID155650334
Molecular FormulaC36H74O13
Molecular Weight714.97 g/mol
Exact Mass714.51
IUPAC Name3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESCOCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
InChIInChI=1S/C36H74O13/c1-38-35-36-49-34-12-33-48-32-11-31-47-30-10-29-46-28-9-27-45-26-8-25-44-24-7-23-43-22-6-21-42-20-5-19-41-18-4-17-40-16-3-15-39-14-2-13-37/h37H,2-36H2,1H3
InChIKeyJOYRTLCXXQQPNX-UHFFFAOYSA-N
XLogP4.10
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds46
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.97
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
CID 173220680
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (CID 155650334) is 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is COCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO.
What is the InChIKey of 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is JOYRTLCXXQQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O13/c1-38-35-36-49-34-12-33-48-32-11-31-47-30-10-29-46-28-9-27-45-26-8-25-44-24-7-23-43-22-6-21-42-20-5-19-41-18-4-17-40-16-3-15-39-14-2-13-37/h37H,2-36H2,1H3.
What are the key properties of 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 714.97 g/mol, XLogP of 4.10, 46 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 155650334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).