[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate

C14H22O3Si — CID 102573503

IUPAC[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESC=C=C(C[Si](C)(C)C)[C@H]1C=C[C@H](OC(C)=O)CO1
InChIInChI=1S/C14H22O3Si/c1-6-12(10-18(3,4)5)14-8-7-13(9-16-14)17-11(2)15/h7-8,13-14H,1,9-10H2,2-5H3/t13-,14+/m0/s1
InChIKeyAPUKYGJBYBOHRA-UONOGXRCSA-N
MW266.41 g/mol
LogP2.92
Rot. Bonds4

About [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate

[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 102573503) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID102573503
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESC=C=C(C[Si](C)(C)C)[C@H]1C=C[C@H](OC(C)=O)CO1
InChIInChI=1S/C14H22O3Si/c1-6-12(10-18(3,4)5)14-8-7-13(9-16-14)17-11(2)15/h7-8,13-14H,1,9-10H2,2-5H3/t13-,14+/m0/s1
InChIKeyAPUKYGJBYBOHRA-UONOGXRCSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 134854496
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
[(2R,3S,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10892295
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
Dihydroeugenol acetate
CID 129704661
[(2R,3S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6917455
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11333889
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate (CID 102573503) is [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate is C=C=C(C[Si](C)(C)C)[C@H]1C=C[C@H](OC(C)=O)CO1.
What is the InChIKey of [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is APUKYGJBYBOHRA-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-6-12(10-18(3,4)5)14-8-7-13(9-16-14)17-11(2)15/h7-8,13-14H,1,9-10H2,2-5H3/t13-,14+/m0/s1.
What are the key properties of [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate?
[(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 266.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 102573503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).