(2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one

C18H32O3Si — CID 11461499

IUPAC(2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)[C@H](C)[C@H](/C=C/C)O1
InChIInChI=1S/C18H32O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13,15-17H,2,12H2,1,3-8H3/b11-9+/t13-,15+,16-,17-/m0/s1
InChIKeyVWZZBQZMSGGMGC-GHTRPCSDSA-N
MW324.54 g/mol
LogP4.50
Rot. Bonds5

About (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one

(2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one (PubChem CID 11461499) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one.

Molecular Properties

Compound Name(2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one
PubChem CID11461499
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name(2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)[C@H](C)[C@H](/C=C/C)O1
InChIInChI=1S/C18H32O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13,15-17H,2,12H2,1,3-8H3/b11-9+/t13-,15+,16-,17-/m0/s1
InChIKeyVWZZBQZMSGGMGC-GHTRPCSDSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.50
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'}

Analyze (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S)-2-[2-tri(propan-2-yl)silyloxyethyl]-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11393178
1,5-bis(tert-Butyldimethylsiloxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11429860
(1R,2S,4R,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101267984
(1R,2R,4S,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068049
(2R,4S,5R)-4-butyl-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068311
(2S,4R,5R)-4-butyl-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068312
1,5-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 68731170
1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628543
1,5-Bis[[tert-butyl(dimethyl)silyl]oxy-dideuteriomethyl]-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628630
1,5-Bis(1-dimethylsilyloxy-2,2-dimethylpropyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 173105493
1-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]propan-2-one
CID 11429395
3-[(4aR,6S,8aS)-2,2-ditert-butyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]heptadecan-2-one
CID 21576327

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one?
The IUPAC name of (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one (CID 11461499) is (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one.
What is the SMILES notation for (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one?
The canonical SMILES for (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)[C@H](C)[C@H](/C=C/C)O1.
What is the InChIKey of (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one?
The InChIKey is VWZZBQZMSGGMGC-GHTRPCSDSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13,15-17H,2,12H2,1,3-8H3/b11-9+/t13-,15+,16-,17-/m0/s1.
What are the key properties of (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one?
(2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one has a molecular weight of 324.54 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-one is sourced from PubChem (CID 11461499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).