1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane

C78H152O33 — CID 59107254

IUPAC1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
SMILESC=CCOCCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCCOCC=C)OCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCCOCC=C
InChIInChI=1S/C78H152O33/c1-4-13-79-16-7-19-82-22-10-25-85-28-31-88-34-37-91-40-43-94-46-49-97-52-54-100-58-60-103-64-66-106-70-72-109-76-78(111-75-74-108-69-68-105-63-62-102-57-56-99-51-48-96-45-42-93-39-36-90-33-30-87-27-12-24-84-21-9-18-81-15-6-3)77-110-73-71-107-67-65-104-61-59-101-55-53-98-50-47-95-44-41-92-38-35-89-32-29-86-26-11-23-83-20-8-17-80-14-5-2/h4-6,78H,1-3,7-77H2
InChIKeyLNKAIRRLHNUBQC-UHFFFAOYSA-N
MW1618.04 g/mol
LogP4.80
Rot. Bonds107

About 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane

1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane (PubChem CID 59107254) has the molecular formula C78H152O33 and a molecular weight of 1618.04 g/mol. Its IUPAC name is 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane.

Molecular Properties

Compound Name1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
PubChem CID59107254
Molecular FormulaC78H152O33
Molecular Weight1618.04 g/mol
Exact Mass1617.02
IUPAC Name1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
SMILESC=CCOCCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCCOCC=C)OCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCCOCC=C
InChIInChI=1S/C78H152O33/c1-4-13-79-16-7-19-82-22-10-25-85-28-31-88-34-37-91-40-43-94-46-49-97-52-54-100-58-60-103-64-66-106-70-72-109-76-78(111-75-74-108-69-68-105-63-62-102-57-56-99-51-48-96-45-42-93-39-36-90-33-30-87-27-12-24-84-21-9-18-81-15-6-3)77-110-73-71-107-67-65-104-61-59-101-55-53-98-50-47-95-44-41-92-38-35-89-32-29-86-26-11-23-83-20-8-17-80-14-5-2/h4-6,78H,1-3,7-77H2
InChIKeyLNKAIRRLHNUBQC-UHFFFAOYSA-N
XLogP4.80
TPSA304.59 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds107
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001618.04
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine
CID 172956935
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
3-[2-[2-[2-(3-aminopropoxy)ethoxy]-3-[2,3-bis[2-(3-aminopropoxy)ethoxy]propoxy]propoxy]ethoxy]propan-1-amine
CID 59459957
1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane
CID 59676185
1-[3-(3-hexadecoxy-2-hex-5-enoxypropyl)peroxy-2-hex-5-enoxypropoxy]hexadecane
CID 174471025
5-[1-[1-[2-[3-[2,3-bis[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]-2-[3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-prop-2-enoxypropoxy]-2-prop-2-enoxypropoxy]propoxy]-3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]propoxy]propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propan-2-yl]oxy-3-[2,3-bis(prop-2-enoxy)propoxy]propan-2-yl]oxypent-1-ene
CID 102351484
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate
CID 102161020
2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
11-(2-prop-2-enoxyethoxy)undecane-1-thiol
CID 59422673
2-[3-[2-[2-[2-[2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]acetamide
CID 141360570
3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine
CID 163490070
3-prop-2-enoxypropan-1-olate
CID 58860427

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane?
The IUPAC name of 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane (CID 59107254) is 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane.
What is the SMILES notation for 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane?
The canonical SMILES for 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane is C=CCOCCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCCOCC=C)OCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCCOCC=C.
What is the InChIKey of 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane?
The InChIKey is LNKAIRRLHNUBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H152O33/c1-4-13-79-16-7-19-82-22-10-25-85-28-31-88-34-37-91-40-43-94-46-49-97-52-54-100-58-60-103-64-66-106-70-72-109-76-78(111-75-74-108-69-68-105-63-62-102-57-56-99-51-48-96-45-42-93-39-36-90-33-30-87-27-12-24-84-21-9-18-81-15-6-3)77-110-73-71-107-67-65-104-61-59-101-55-53-98-50-47-95-44-41-92-38-35-89-32-29-86-26-11-23-83-20-8-17-80-14-5-2/h4-6,78H,1-3,7-77H2.
What are the key properties of 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane?
1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane has a molecular weight of 1618.04 g/mol, XLogP of 4.80, 107 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane is sourced from PubChem (CID 59107254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).