(2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one

C14H24O3Si — CID 10683359

IUPAC(2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
SMILESCC/C=C/[C@@H]1OC(=O)C=C[C@@H]1OCC[Si](C)(C)C
InChIInChI=1S/C14H24O3Si/c1-5-6-7-13-12(8-9-14(15)17-13)16-10-11-18(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3/b7-6+/t12-,13-/m0/s1
InChIKeySZWNIOVHYRWJHU-XKZLPGLHSA-N
MW268.43 g/mol
LogP3.16
Rot. Bonds6

About (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one

(2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one (PubChem CID 10683359) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
PubChem CID10683359
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
SMILESCC/C=C/[C@@H]1OC(=O)C=C[C@@H]1OCC[Si](C)(C)C
InChIInChI=1S/C14H24O3Si/c1-5-6-7-13-12(8-9-14(15)17-13)16-10-11-18(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3/b7-6+/t12-,13-/m0/s1
InChIKeySZWNIOVHYRWJHU-XKZLPGLHSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one (CID 10683359) is (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one is CC/C=C/[C@@H]1OC(=O)C=C[C@@H]1OCC[Si](C)(C)C.
What is the InChIKey of (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
The InChIKey is SZWNIOVHYRWJHU-XKZLPGLHSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-5-6-7-13-12(8-9-14(15)17-13)16-10-11-18(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3/b7-6+/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one?
(2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one has a molecular weight of 268.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(E)-but-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one is sourced from PubChem (CID 10683359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).