4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one

C22H30O16 — CID 154528659

IUPAC4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCCC(COCC2COC(=O)O2)(COCC2COC(=O)O2)COCC2COC(=O)O2)O1
InChIInChI=1S/C22H30O16/c23-18-31-7-14(35-18)3-27-2-1-22(11-28-4-15-8-32-19(24)36-15,12-29-5-16-9-33-20(25)37-16)13-30-6-17-10-34-21(26)38-17/h14-17H,1-13H2
InChIKeyGHHPFICXZLGMFL-UHFFFAOYSA-N
MW550.47 g/mol
LogP0.57
Rot. Bonds17

About 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one

4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one (PubChem CID 154528659) has the molecular formula C22H30O16 and a molecular weight of 550.47 g/mol. Its IUPAC name is 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
PubChem CID154528659
Molecular FormulaC22H30O16
Molecular Weight550.47 g/mol
Exact Mass550.15
IUPAC Name4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCCC(COCC2COC(=O)O2)(COCC2COC(=O)O2)COCC2COC(=O)O2)O1
InChIInChI=1S/C22H30O16/c23-18-31-7-14(35-18)3-27-2-1-22(11-28-4-15-8-32-19(24)36-15,12-29-5-16-9-33-20(25)37-16)13-30-6-17-10-34-21(26)38-17/h14-17H,1-13H2
InChIKeyGHHPFICXZLGMFL-UHFFFAOYSA-N
XLogP0.57
TPSA179.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.47
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one 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 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one (CID 154528659) is 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one is O=C1OCC(COCCC(COCC2COC(=O)O2)(COCC2COC(=O)O2)COCC2COC(=O)O2)O1.
What is the InChIKey of 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one?
The InChIKey is GHHPFICXZLGMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O16/c23-18-31-7-14(35-18)3-27-2-1-22(11-28-4-15-8-32-19(24)36-15,12-29-5-16-9-33-20(25)37-16)13-30-6-17-10-34-21(26)38-17/h14-17H,1-13H2.
What are the key properties of 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one?
4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one has a molecular weight of 550.47 g/mol, XLogP of 0.57, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 154528659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).