2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol

C40H82O21 — CID 155655122

IUPAC2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol
SMILESCCCOCC(CO)OC(CO)COCC(COCC(CO)OC)OC(COCC(CO)OC)COCC(COC(CO)COC)OC(COC(C)C)COC(CO)COC
InChIInChI=1S/C40H82O21/c1-8-9-51-20-35(14-45)59-36(15-46)21-54-24-37(22-52-18-31(10-41)49-6)60-38(23-53-19-32(11-42)50-7)25-55-26-39(28-57-33(12-43)16-47-4)61-40(27-56-30(2)3)29-58-34(13-44)17-48-5/h30-46H,8-29H2,1-7H3
InChIKeyOWJBPYFWEBPEJN-UHFFFAOYSA-N
MW899.07 g/mol
LogP-1.79
Rot. Bonds47

About 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol

2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol (PubChem CID 155655122) has the molecular formula C40H82O21 and a molecular weight of 899.07 g/mol. Its IUPAC name is 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol
PubChem CID155655122
Molecular FormulaC40H82O21
Molecular Weight899.07 g/mol
Exact Mass898.53
IUPAC Name2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol
SMILESCCCOCC(CO)OC(CO)COCC(COCC(CO)OC)OC(COCC(CO)OC)COCC(COC(CO)COC)OC(COC(C)C)COC(CO)COC
InChIInChI=1S/C40H82O21/c1-8-9-51-20-35(14-45)59-36(15-46)21-54-24-37(22-52-18-31(10-41)49-6)60-38(23-53-19-32(11-42)50-7)25-55-26-39(28-57-33(12-43)16-47-4)61-40(27-56-30(2)3)29-58-34(13-44)17-48-5/h30-46H,8-29H2,1-7H3
InChIKeyOWJBPYFWEBPEJN-UHFFFAOYSA-N
XLogP-1.79
TPSA259.83 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds47
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.07
LogP ≤ 5-1.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol with MolForge

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Related Compounds

2-[1-butoxy-3-(1-butoxy-3-hydroxypropan-2-yl)oxypropan-2-yl]oxypropane-1,3-diol
CID 172513844
3-propan-2-yloxy-2-tetradecoxypropan-1-ol
CID 126584674
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane
CID 135274448
(2S)-2-(2-methylpropoxy)-3-octadecoxypropan-1-ol
CID 163881476
3-[1-[3-[1-[3-(2-hydroxy-3-methoxypropoxy)-2-(3-hydroxy-2-methoxypropoxy)propoxy]propan-2-yloxy]-2-[3-(2-hydroxypropoxy)-2-(3-hydroxypropoxy)propoxy]propoxy]-3-(3-hydroxypropoxy)propan-2-yl]oxypropane-1,2-diol
CID 170087283
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
CID 134863100
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol?
The IUPAC name of 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol (CID 155655122) is 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol is CCCOCC(CO)OC(CO)COCC(COCC(CO)OC)OC(COCC(CO)OC)COCC(COC(CO)COC)OC(COC(C)C)COC(CO)COC.
What is the InChIKey of 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol?
The InChIKey is OWJBPYFWEBPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82O21/c1-8-9-51-20-35(14-45)59-36(15-46)21-54-24-37(22-52-18-31(10-41)49-6)60-38(23-53-19-32(11-42)50-7)25-55-26-39(28-57-33(12-43)16-47-4)61-40(27-56-30(2)3)29-58-34(13-44)17-48-5/h30-46H,8-29H2,1-7H3.
What are the key properties of 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol?
2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol has a molecular weight of 899.07 g/mol, XLogP of -1.79, 47 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol is sourced from PubChem (CID 155655122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).