[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C20H26O6 — CID 11068451

IUPAC[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](Oc2cccc(C(C)(C)C)c2)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C20H26O6/c1-13(21)23-12-18-17(24-14(2)22)9-10-19(26-18)25-16-8-6-7-15(11-16)20(3,4)5/h6-11,17-19H,12H2,1-5H3/t17-,18+,19-/m0/s1
InChIKeySXKBANRGDHJCJK-OTWHNJEPSA-N
MW362.42 g/mol
LogP3.14
Rot. Bonds5

About [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 11068451) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID11068451
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](Oc2cccc(C(C)(C)C)c2)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C20H26O6/c1-13(21)23-12-18-17(24-14(2)22)9-10-19(26-18)25-16-8-6-7-15(11-16)20(3,4)5/h6-11,17-19H,12H2,1-5H3/t17-,18+,19-/m0/s1
InChIKeySXKBANRGDHJCJK-OTWHNJEPSA-N
XLogP3.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl 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

[(2R,3S,6R)-3-acetyloxy-6-(4-methoxyphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10936603
(3,6-diacetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 18534199
[(2R,3R,6R)-3,6-diacetyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 70004935
[(2R,3S)-3,6-diacetyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10880231
[(2R,3S)-3-acetyloxy-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11460356
[3-acetyloxy-6-(2-iodophenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6709735
[(2R,3R,6R)-3-acetyloxy-6-tert-butylperoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11833571
[(2R,3R,6S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897404
[(3S,6R)-3-acetyloxy-6-phenylmethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 135030712
[(2R,3S,6S)-3-acetyloxy-6-[12-[[(2R,3S,6S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]dodecoxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11966603
[(2R,3S)-3-acetyloxy-6-(1,3-dioxoisoindol-2-yl)oxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134974820
[(2R,3R,6S)-3-acetyloxy-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101149191

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 11068451) is [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](Oc2cccc(C(C)(C)C)c2)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is SXKBANRGDHJCJK-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H26O6/c1-13(21)23-12-18-17(24-14(2)22)9-10-19(26-18)25-16-8-6-7-15(11-16)20(3,4)5/h6-11,17-19H,12H2,1-5H3/t17-,18+,19-/m0/s1.
What are the key properties of [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 362.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-3-acetyloxy-6-(3-tert-butylphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 11068451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).