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

C33H64O15 — CID 20697469

IUPAC4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(C)(C)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C33H64O15/c1-5-6-44-27-31(28-45-29-32-30-47-33(2,3)48-32)46-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-8-7-34-4/h5,31-32H,1,6-30H2,2-4H3
InChIKeyBRCFJBLDBCJURY-UHFFFAOYSA-N
MW700.86 g/mol
LogP1.54
Rot. Bonds39

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

4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 20697469) has the molecular formula C33H64O15 and a molecular weight of 700.86 g/mol. Its IUPAC name is 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID20697469
Molecular FormulaC33H64O15
Molecular Weight700.86 g/mol
Exact Mass700.42
IUPAC Name4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(C)(C)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C33H64O15/c1-5-6-44-27-31(28-45-29-32-30-47-33(2,3)48-32)46-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-8-7-34-4/h5,31-32H,1,6-30H2,2-4H3
InChIKeyBRCFJBLDBCJURY-UHFFFAOYSA-N
XLogP1.54
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.86
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane (CID 20697469) is 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane is C=CCOCC(COCC1COC(C)(C)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is BRCFJBLDBCJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O15/c1-5-6-44-27-31(28-45-29-32-30-47-33(2,3)48-32)46-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-8-7-34-4/h5,31-32H,1,6-30H2,2-4H3.
What are the key properties of 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 700.86 g/mol, XLogP of 1.54, 39 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 20697469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).