1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol

C62H106O22 — CID 102349883

IUPAC1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COC(COCC=C)COC(COCC=C)COC(COCC=C)COC(COCC=C)COCCOCC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(O)COCC=C
InChIInChI=1S/C62H106O22/c1-11-21-65-33-53(63)35-77-57(41-69-25-15-5)47-81-61(45-73-29-19-9)51-83-59(43-71-27-17-7)49-79-55(37-67-23-13-3)39-75-31-32-76-40-56(38-68-24-14-4)80-50-60(44-72-28-18-8)84-52-62(46-74-30-20-10)82-48-58(42-70-26-16-6)78-36-54(64)34-66-22-12-2/h11-20,53-64H,1-10,21-52H2
InChIKeyHZMKMOVPEGWHDD-UHFFFAOYSA-N
MW1203.51 g/mol
LogP4.85
Rot. Bonds71

About 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol

1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol (PubChem CID 102349883) has the molecular formula C62H106O22 and a molecular weight of 1203.51 g/mol. Its IUPAC name is 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
PubChem CID102349883
Molecular FormulaC62H106O22
Molecular Weight1203.51 g/mol
Exact Mass1202.72
IUPAC Name1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COC(COCC=C)COC(COCC=C)COC(COCC=C)COC(COCC=C)COCCOCC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(O)COCC=C
InChIInChI=1S/C62H106O22/c1-11-21-65-33-53(63)35-77-57(41-69-25-15-5)47-81-61(45-73-29-19-9)51-83-59(43-71-27-17-7)49-79-55(37-67-23-13-3)39-75-31-32-76-40-56(38-68-24-14-4)80-50-60(44-72-28-18-8)84-52-62(46-74-30-20-10)82-48-58(42-70-26-16-6)78-36-54(64)34-66-22-12-2/h11-20,53-64H,1-10,21-52H2
InChIKeyHZMKMOVPEGWHDD-UHFFFAOYSA-N
XLogP4.85
TPSA225.06 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds71
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol (CID 102349883) is 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COC(COCC=C)COC(COCC=C)COC(COCC=C)COC(COCC=C)COCCOCC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(O)COCC=C.
What is the InChIKey of 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol?
The InChIKey is HZMKMOVPEGWHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H106O22/c1-11-21-65-33-53(63)35-77-57(41-69-25-15-5)47-81-61(45-73-29-19-9)51-83-59(43-71-27-17-7)49-79-55(37-67-23-13-3)39-75-31-32-76-40-56(38-68-24-14-4)80-50-60(44-72-28-18-8)84-52-62(46-74-30-20-10)82-48-58(42-70-26-16-6)78-36-54(64)34-66-22-12-2/h11-20,53-64H,1-10,21-52H2.
What are the key properties of 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol?
1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol has a molecular weight of 1203.51 g/mol, XLogP of 4.85, 71 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 102349883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).