3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

C63H128O21 — CID 59025207

IUPAC3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
InChIInChI=1S/C63H128O21/c64-24-5-28-68-32-9-36-72-40-13-44-76-48-17-52-80-56-21-60-82-58-19-54-78-50-15-46-74-42-11-38-70-34-7-30-66-26-3-1-2-4-27-67-31-8-35-71-39-12-43-75-47-16-51-79-55-20-59-83-62-23-63-84-61-22-57-81-53-18-49-77-45-14-41-73-37-10-33-69-29-6-25-65/h64-65H,1-63H2
InChIKeyKXUKPWHDUTUHKC-UHFFFAOYSA-N
MW1221.70 g/mol
LogP8.26
Rot. Bonds81

About 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 59025207) has the molecular formula C63H128O21 and a molecular weight of 1221.70 g/mol. Its IUPAC name is 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
PubChem CID59025207
Molecular FormulaC63H128O21
Molecular Weight1221.70 g/mol
Exact Mass1220.89
IUPAC Name3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
InChIInChI=1S/C63H128O21/c64-24-5-28-68-32-9-36-72-40-13-44-76-48-17-52-80-56-21-60-82-58-19-54-78-50-15-46-74-42-11-38-70-34-7-30-66-26-3-1-2-4-27-67-31-8-35-71-39-12-43-75-47-16-51-79-55-20-59-83-62-23-63-84-61-22-57-81-53-18-49-77-45-14-41-73-37-10-33-69-29-6-25-65/h64-65H,1-63H2
InChIKeyKXUKPWHDUTUHKC-UHFFFAOYSA-N
XLogP8.26
TPSA215.83 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds81
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.70
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol with MolForge

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Related Compounds

4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
CID 139572770
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (CID 59025207) is 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]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-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO.
What is the InChIKey of 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is KXUKPWHDUTUHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H128O21/c64-24-5-28-68-32-9-36-72-40-13-44-76-48-17-52-80-56-21-60-82-58-19-54-78-50-15-46-74-42-11-38-70-34-7-30-66-26-3-1-2-4-27-67-31-8-35-71-39-12-43-75-47-16-51-79-55-20-59-83-62-23-63-84-61-22-57-81-53-18-49-77-45-14-41-73-37-10-33-69-29-6-25-65/h64-65H,1-63H2.
What are the key properties of 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 1221.70 g/mol, XLogP of 8.26, 81 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 59025207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).