[4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate

C23H33NO10 — CID 118326963

IUPAC[4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate
SMILESCCC1OC(OCCOCCOc2ccc(N)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C23H33NO10/c1-5-19-20(31-14(2)25)21(32-15(3)26)22(33-16(4)27)23(34-19)30-13-11-28-10-12-29-18-8-6-17(24)7-9-18/h6-9,19-23H,5,10-13,24H2,1-4H3
InChIKeyYQONYINTKRQNPB-UHFFFAOYSA-N
MW483.51 g/mol
LogP1.61
Rot. Bonds12

About [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate

[4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate (PubChem CID 118326963) has the molecular formula C23H33NO10 and a molecular weight of 483.51 g/mol. Its IUPAC name is [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate.

Molecular Properties

Compound Name[4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate
PubChem CID118326963
Molecular FormulaC23H33NO10
Molecular Weight483.51 g/mol
Exact Mass483.21
IUPAC Name[4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate
SMILESCCC1OC(OCCOCCOc2ccc(N)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C23H33NO10/c1-5-19-20(31-14(2)25)21(32-15(3)26)22(33-16(4)27)23(34-19)30-13-11-28-10-12-29-18-8-6-17(24)7-9-18/h6-9,19-23H,5,10-13,24H2,1-4H3
InChIKeyYQONYINTKRQNPB-UHFFFAOYSA-N
XLogP1.61
TPSA141.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
[(2R,3R,4S,5R,6R)-2-[2-(4-acetamidophenoxy)carbonyloxyethoxy]-3-acetyloxy-6-ethyl-5-methyloxan-4-yl] acetate
CID 89211544
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-butoxyoxan-2-yl]methyl acetate
CID 10024165
[(3R,4R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 164941067
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 170905630
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-ethoxyphenoxy)oxan-2-yl]methyl acetate
CID 10389878
[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 177341824
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2,2-bis(acetyloxymethyl)-3-hexadecoxypropoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 11007411
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-trimethylsilyloxyethoxy)oxan-2-yl]methyl acetate
CID 102501459
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-aminopentoxy)oxan-2-yl]methyl acetate
CID 101189145

Frequently Asked Questions

What is the IUPAC name of [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate?
The IUPAC name of [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate (CID 118326963) is [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate.
What is the SMILES notation for [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate?
The canonical SMILES for [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate is CCC1OC(OCCOCCOc2ccc(N)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate?
The InChIKey is YQONYINTKRQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO10/c1-5-19-20(31-14(2)25)21(32-15(3)26)22(33-16(4)27)23(34-19)30-13-11-28-10-12-29-18-8-6-17(24)7-9-18/h6-9,19-23H,5,10-13,24H2,1-4H3.
What are the key properties of [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate?
[4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate has a molecular weight of 483.51 g/mol, XLogP of 1.61, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-diacetyloxy-6-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]-2-ethyloxan-3-yl] acetate is sourced from PubChem (CID 118326963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).