[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate

C15H24O8 — CID 142000697

IUPAC[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate
SMILESCOC1C(OC(C)=O)CC(OC/C=C\CO)OC1COC(C)=O
InChIInChI=1S/C15H24O8/c1-10(17)21-9-13-15(19-3)12(22-11(2)18)8-14(23-13)20-7-5-4-6-16/h4-5,12-16H,6-9H2,1-3H3/b5-4-
InChIKeyABONXCMYMSPCSB-PLNGDYQASA-N
MW332.35 g/mol
LogP0.18
Rot. Bonds8

About [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate

[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate (PubChem CID 142000697) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate
PubChem CID142000697
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate
SMILESCOC1C(OC(C)=O)CC(OC/C=C\CO)OC1COC(C)=O
InChIInChI=1S/C15H24O8/c1-10(17)21-9-13-15(19-3)12(22-11(2)18)8-14(23-13)20-7-5-4-6-16/h4-5,12-16H,6-9H2,1-3H3/b5-4-
InChIKeyABONXCMYMSPCSB-PLNGDYQASA-N
XLogP0.18
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate with MolForge

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Related Compounds

[4-acetyloxy-3-methoxy-6-[(Z)-4-(methylaminooxy)but-2-enoxy]oxan-2-yl]methyl acetate
CID 142000680
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]oxan-2-yl]methyl acetate
CID 142000686
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(3R,4S,6R)-3,4,5-triacetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]oxan-2-yl]methyl acetate
CID 70846151
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-[(Z)-hex-3-enoxy]oxan-2-yl]methyl acetate
CID 11222514
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,3S,4R,6S)-4-acetyloxy-3-ethenyl-6-methoxyoxan-2-yl]methyl acetate
CID 146660242
[(2R,3R,4R,6S)-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
CID 100922214
[(2R,3R,4R,6R)-3,4-diacetyloxy-6-[2-[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]ethoxy]oxan-2-yl]methyl acetate
CID 177164033

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate?
The IUPAC name of [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate (CID 142000697) is [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate?
The canonical SMILES for [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate is COC1C(OC(C)=O)CC(OC/C=C\CO)OC1COC(C)=O.
What is the InChIKey of [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate?
The InChIKey is ABONXCMYMSPCSB-PLNGDYQASA-N. The full InChI is InChI=1S/C15H24O8/c1-10(17)21-9-13-15(19-3)12(22-11(2)18)8-14(23-13)20-7-5-4-6-16/h4-5,12-16H,6-9H2,1-3H3/b5-4-.
What are the key properties of [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate?
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate has a molecular weight of 332.35 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 142000697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).