2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane

C63H124O25 — CID 20697468

IUPAC2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(CCCCCC)(CCCCCC)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C63H124O25/c1-5-8-10-12-14-63(15-13-11-9-6-2)87-60-62(88-63)59-85-58-61(57-84-16-7-3)86-56-55-83-54-53-82-52-51-81-50-49-80-48-47-79-46-45-78-44-43-77-42-41-76-40-39-75-38-37-74-36-35-73-34-33-72-32-31-71-30-29-70-28-27-69-26-25-68-24-23-67-22-21-66-20-19-65-18-17-64-4/h7,61-62H,3,5-6,8-60H2,1-2,4H3
InChIKeyIJFPTFIKKOFJNU-UHFFFAOYSA-N
MW1281.66 g/mol
LogP5.61
Rot. Bonds79

About 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane

2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane (PubChem CID 20697468) has the molecular formula C63H124O25 and a molecular weight of 1281.66 g/mol. Its IUPAC name is 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane
PubChem CID20697468
Molecular FormulaC63H124O25
Molecular Weight1281.66 g/mol
Exact Mass1280.84
IUPAC Name2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(CCCCCC)(CCCCCC)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C63H124O25/c1-5-8-10-12-14-63(15-13-11-9-6-2)87-60-62(88-63)59-85-58-61(57-84-16-7-3)86-56-55-83-54-53-82-52-51-81-50-49-80-48-47-79-46-45-78-44-43-77-42-41-76-40-39-75-38-37-74-36-35-73-34-33-72-32-31-71-30-29-70-28-27-69-26-25-68-24-23-67-22-21-66-20-19-65-18-17-64-4/h7,61-62H,3,5-6,8-60H2,1-2,4H3
InChIKeyIJFPTFIKKOFJNU-UHFFFAOYSA-N
XLogP5.61
TPSA230.75 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds79
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.66
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane?
The IUPAC name of 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane (CID 20697468) is 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane is C=CCOCC(COCC1COC(CCCCCC)(CCCCCC)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane?
The InChIKey is IJFPTFIKKOFJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H124O25/c1-5-8-10-12-14-63(15-13-11-9-6-2)87-60-62(88-63)59-85-58-61(57-84-16-7-3)86-56-55-83-54-53-82-52-51-81-50-49-80-48-47-79-46-45-78-44-43-77-42-41-76-40-39-75-38-37-74-36-35-73-34-33-72-32-31-71-30-29-70-28-27-69-26-25-68-24-23-67-22-21-66-20-19-65-18-17-64-4/h7,61-62H,3,5-6,8-60H2,1-2,4H3.
What are the key properties of 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane?
2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane has a molecular weight of 1281.66 g/mol, XLogP of 5.61, 79 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihexyl-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-1,3-dioxolane is sourced from PubChem (CID 20697468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).