[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C19H30O6Si — CID 6709721

IUPAC[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=C(C=CC[Si](C)(C)C)COC1C=CC(OC(C)=O)C(COC(C)=O)O1
InChIInChI=1S/C19H30O6Si/c1-14(8-7-11-26(4,5)6)12-23-19-10-9-17(24-16(3)21)18(25-19)13-22-15(2)20/h7-10,17-19H,1,11-13H2,2-6H3
InChIKeySOQIWMBUUXKRGO-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.23
Rot. Bonds9

About [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 6709721) has the molecular formula C19H30O6Si and a molecular weight of 382.53 g/mol. Its IUPAC name is [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID6709721
Molecular FormulaC19H30O6Si
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=C(C=CC[Si](C)(C)C)COC1C=CC(OC(C)=O)C(COC(C)=O)O1
InChIInChI=1S/C19H30O6Si/c1-14(8-7-11-26(4,5)6)12-23-19-10-9-17(24-16(3)21)18(25-19)13-22-15(2)20/h7-10,17-19H,1,11-13H2,2-6H3
InChIKeySOQIWMBUUXKRGO-UHFFFAOYSA-N
XLogP3.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,6S)-3-acetyloxy-6-(2-methylprop-2-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10517156
[(2R,3R,6S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897404
(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,6S)-3-acetyloxy-6-pent-4-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10424757
[(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,6S)-3-acetyloxy-6-[(E)-hex-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101193810
[(2R,3S)-3-acetyloxy-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11460356
(3-acetyloxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 14214897
[(2R,3S)-3-acetyloxy-6-but-3-ynoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 15143759
[(3S,6R)-3-acetyloxy-6-phenylmethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 135030712

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 6709721) is [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C=C(C=CC[Si](C)(C)C)COC1C=CC(OC(C)=O)C(COC(C)=O)O1.
What is the InChIKey of [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is SOQIWMBUUXKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O6Si/c1-14(8-7-11-26(4,5)6)12-23-19-10-9-17(24-16(3)21)18(25-19)13-22-15(2)20/h7-10,17-19H,1,11-13H2,2-6H3.
What are the key properties of [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 382.53 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 6709721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).