(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one

C20H28O5Si — CID 177487440

IUPAC(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
SMILESCC1(C)O[C@H](CC(=O)C#C[Si](C)(C)C)[C@@](C)(C=C[C@H]2CC=CC(=O)O2)O1
InChIInChI=1S/C20H28O5Si/c1-19(2)24-17(14-15(21)11-13-26(4,5)6)20(3,25-19)12-10-16-8-7-9-18(22)23-16/h7,9-10,12,16-17H,8,14H2,1-6H3/t16-,17-,20-/m1/s1
InChIKeyBMGHHBNCXYDYLV-MBOZVWFJSA-N
MW376.53 g/mol
LogP3.16
Rot. Bonds4

About (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one

(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one (PubChem CID 177487440) has the molecular formula C20H28O5Si and a molecular weight of 376.53 g/mol. Its IUPAC name is (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
PubChem CID177487440
Molecular FormulaC20H28O5Si
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
SMILESCC1(C)O[C@H](CC(=O)C#C[Si](C)(C)C)[C@@](C)(C=C[C@H]2CC=CC(=O)O2)O1
InChIInChI=1S/C20H28O5Si/c1-19(2)24-17(14-15(21)11-13-26(4,5)6)20(3,25-19)12-10-16-8-7-9-18(22)23-16/h7,9-10,12,16-17H,8,14H2,1-6H3/t16-,17-,20-/m1/s1
InChIKeyBMGHHBNCXYDYLV-MBOZVWFJSA-N
XLogP3.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one (CID 177487440) is (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one is CC1(C)O[C@H](CC(=O)C#C[Si](C)(C)C)[C@@](C)(C=C[C@H]2CC=CC(=O)O2)O1.
What is the InChIKey of (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
The InChIKey is BMGHHBNCXYDYLV-MBOZVWFJSA-N. The full InChI is InChI=1S/C20H28O5Si/c1-19(2)24-17(14-15(21)11-13-26(4,5)6)20(3,25-19)12-10-16-8-7-9-18(22)23-16/h7,9-10,12,16-17H,8,14H2,1-6H3/t16-,17-,20-/m1/s1.
What are the key properties of (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one has a molecular weight of 376.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 177487440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).