1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol

C72H134N6O15+6 — CID 121296308

IUPAC1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol
SMILESC=CC[N+]1(CC(O)COCC(COCC(COCC(COCC(COCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)CCCC1
InChIInChI=1S/C72H134N6O15/c1-7-25-73(31-13-14-32-73)43-63(79)49-85-55-69(90-51-65(81)45-75(27-9-3)35-17-18-36-75)57-87-59-71(92-53-67(83)47-77(29-11-5)39-21-22-40-77)61-89-62-72(93-54-68(84)48-78(30-12-6)41-23-24-42-78)60-88-58-70(91-52-66(82)46-76(28-10-4)37-19-20-38-76)56-86-50-64(80)44-74(26-8-2)33-15-16-34-74/h7-12,63-72,79-84H,1-6,13-62H2/q+6
InChIKeyCNRDYRQFUAQFTD-UHFFFAOYSA-N
MW1323.89 g/mol
LogP3.56
Rot. Bonds56

About 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol

1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol (PubChem CID 121296308) has the molecular formula C72H134N6O15+6 and a molecular weight of 1323.89 g/mol. Its IUPAC name is 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol
PubChem CID121296308
Molecular FormulaC72H134N6O15+6
Molecular Weight1323.89 g/mol
Exact Mass1322.99
IUPAC Name1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol
SMILESC=CC[N+]1(CC(O)COCC(COCC(COCC(COCC(COCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)CCCC1
InChIInChI=1S/C72H134N6O15/c1-7-25-73(31-13-14-32-73)43-63(79)49-85-55-69(90-51-65(81)45-75(27-9-3)35-17-18-36-75)57-87-59-71(92-53-67(83)47-77(29-11-5)39-21-22-40-77)61-89-62-72(93-54-68(84)48-78(30-12-6)41-23-24-42-78)60-88-58-70(91-52-66(82)46-76(28-10-4)37-19-20-38-76)56-86-50-64(80)44-74(26-8-2)33-15-16-34-74/h7-12,63-72,79-84H,1-6,13-62H2/q+6
InChIKeyCNRDYRQFUAQFTD-UHFFFAOYSA-N
XLogP3.56
TPSA204.45 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds56
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.89
LogP ≤ 53.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol with MolForge

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Related Compounds

3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
1-(2,7-dimethyloctyl)-1-prop-2-enylpiperidin-1-ium
CID 11473461
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
1-(1-benzylpyrrolidin-1-ium-1-yl)-3-butoxypropan-2-ol chloride
CID 45283755
1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol
CID 3064908
1-ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-but-3-enoxybutan-2-ol;tris(3-[2-but-3-enoxy-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol);tetrakis(1-(3-but-3-enoxy-2-hydroxypropoxy)butan-2-ol)
CID 160690729
1-(1,3-dioctoxypropan-2-yloxy)-3-octoxypropan-2-ol
CID 87462950
3-[3-[1,3-bis[3-cyclobutyl-2-(2,3-dihydroxypropoxy)propoxy]propan-2-yloxy]-2-methylpropoxy]propane-1,2-diol
CID 146342702

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol?
The IUPAC name of 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol (CID 121296308) is 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol is C=CC[N+]1(CC(O)COCC(COCC(COCC(COCC(COCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)OCC(O)C[N+]2(CC=C)CCCC2)CCCC1.
What is the InChIKey of 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol?
The InChIKey is CNRDYRQFUAQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H134N6O15/c1-7-25-73(31-13-14-32-73)43-63(79)49-85-55-69(90-51-65(81)45-75(27-9-3)35-17-18-36-75)57-87-59-71(92-53-67(83)47-77(29-11-5)39-21-22-40-77)61-89-62-72(93-54-68(84)48-78(30-12-6)41-23-24-42-78)60-88-58-70(91-52-66(82)46-76(28-10-4)37-19-20-38-76)56-86-50-64(80)44-74(26-8-2)33-15-16-34-74/h7-12,63-72,79-84H,1-6,13-62H2/q+6.
What are the key properties of 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol?
1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol has a molecular weight of 1323.89 g/mol, XLogP of 3.56, 56 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol is sourced from PubChem (CID 121296308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).