[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

C26H32N2O7 — CID 6152359

IUPAC[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SMILESCC(=O)OC1OC(/C=N\N(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C26H32N2O7/c1-18(29)33-25-24(32-17-21-13-9-6-10-14-21)23(31-16-20-11-7-5-8-12-20)22(15-27-28(3)4)35-26(25)34-19(2)30/h5-15,22-26H,16-17H2,1-4H3/b27-15-
InChIKeyIKFPDKZTSBDVRM-DICXZTSXSA-N
MW484.55 g/mol
LogP2.92
Rot. Bonds10

About [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate (PubChem CID 6152359) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
PubChem CID6152359
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SMILESCC(=O)OC1OC(/C=N\N(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C26H32N2O7/c1-18(29)33-25-24(32-17-21-13-9-6-10-14-21)23(31-16-20-11-7-5-8-12-20)22(15-27-28(3)4)35-26(25)34-19(2)30/h5-15,22-26H,16-17H2,1-4H3/b27-15-
InChIKeyIKFPDKZTSBDVRM-DICXZTSXSA-N
XLogP2.92
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The IUPAC name of [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate (CID 6152359) is [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate.
What is the SMILES notation for [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The canonical SMILES for [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate is CC(=O)OC1OC(/C=N\N(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(C)=O.
What is the InChIKey of [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The InChIKey is IKFPDKZTSBDVRM-DICXZTSXSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-18(29)33-25-24(32-17-21-13-9-6-10-14-21)23(31-16-20-11-7-5-8-12-20)22(15-27-28(3)4)35-26(25)34-19(2)30/h5-15,22-26H,16-17H2,1-4H3/b27-15-.
What are the key properties of [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate has a molecular weight of 484.55 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate is sourced from PubChem (CID 6152359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).