2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate

C22H28O16 — CID 169079282

IUPAC2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
SMILESCCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OCC(COCC1COC(=O)O1)OCC1COC(=O)O1
InChIInChI=1S/C22H28O16/c1-2-14-15(36-21(26)35-14)3-16-17(38-22(27)37-16)4-18(23)30-7-11(29-8-13-10-32-20(25)34-13)5-28-6-12-9-31-19(24)33-12/h11-17H,2-10H2,1H3
InChIKeyCLOZTYPLQMOXFL-UHFFFAOYSA-N
MW548.45 g/mol
LogP1.00
Rot. Bonds14

About 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate

2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate (PubChem CID 169079282) has the molecular formula C22H28O16 and a molecular weight of 548.45 g/mol. Its IUPAC name is 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Name2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
PubChem CID169079282
Molecular FormulaC22H28O16
Molecular Weight548.45 g/mol
Exact Mass548.14
IUPAC Name2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
SMILESCCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OCC(COCC1COC(=O)O1)OCC1COC(=O)O1
InChIInChI=1S/C22H28O16/c1-2-14-15(36-21(26)35-14)3-16-17(38-22(27)37-16)4-18(23)30-7-11(29-8-13-10-32-20(25)34-13)5-28-6-12-9-31-19(24)33-12/h11-17H,2-10H2,1H3
InChIKeyCLOZTYPLQMOXFL-UHFFFAOYSA-N
XLogP1.00
TPSA186.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium
CID 142966378
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
2-ethoxyethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]acetate
CID 59844671
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
CID 102112461
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
sodium;oxiran-2-ylmethyl 2-ethylhexanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-ethylhexanoate;iodide
CID 158205489

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The IUPAC name of 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate (CID 169079282) is 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate is CCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OCC(COCC1COC(=O)O1)OCC1COC(=O)O1.
What is the InChIKey of 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The InChIKey is CLOZTYPLQMOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O16/c1-2-14-15(36-21(26)35-14)3-16-17(38-22(27)37-16)4-18(23)30-7-11(29-8-13-10-32-20(25)34-13)5-28-6-12-9-31-19(24)33-12/h11-17H,2-10H2,1H3.
What are the key properties of 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate has a molecular weight of 548.45 g/mol, XLogP of 1.00, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 169079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).