(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one

C20H36O5Si — CID 11372550

IUPAC(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one
SMILESCC(C)[Si](OCC[C@H]1CC(=O)C=C(CC2OCCO2)O1)(C(C)C)C(C)C
InChIInChI=1S/C20H36O5Si/c1-14(2)26(15(3)4,16(5)6)24-8-7-18-11-17(21)12-19(25-18)13-20-22-9-10-23-20/h12,14-16,18,20H,7-11,13H2,1-6H3/t18-/m0/s1
InChIKeyXWWTYWUXINPCAF-SFHVURJKSA-N
MW384.59 g/mol
LogP4.57
Rot. Bonds9

About (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one

(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one (PubChem CID 11372550) has the molecular formula C20H36O5Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one
PubChem CID11372550
Molecular FormulaC20H36O5Si
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Name(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one
SMILESCC(C)[Si](OCC[C@H]1CC(=O)C=C(CC2OCCO2)O1)(C(C)C)C(C)C
InChIInChI=1S/C20H36O5Si/c1-14(2)26(15(3)4,16(5)6)24-8-7-18-11-17(21)12-19(25-18)13-20-22-9-10-23-20/h12,14-16,18,20H,7-11,13H2,1-6H3/t18-/m0/s1
InChIKeyXWWTYWUXINPCAF-SFHVURJKSA-N
XLogP4.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one (CID 11372550) is (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one is CC(C)[Si](OCC[C@H]1CC(=O)C=C(CC2OCCO2)O1)(C(C)C)C(C)C.
What is the InChIKey of (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one?
The InChIKey is XWWTYWUXINPCAF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H36O5Si/c1-14(2)26(15(3)4,16(5)6)24-8-7-18-11-17(21)12-19(25-18)13-20-22-9-10-23-20/h12,14-16,18,20H,7-11,13H2,1-6H3/t18-/m0/s1.
What are the key properties of (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one?
(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one has a molecular weight of 384.59 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 11372550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).