(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one

C16H28O3Si — CID 162466811

IUPAC(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one
SMILESC/C=C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C16H28O3Si/c1-7-8-9-10-14(13-11-12-15(17)18-13)19-20(5,6)16(2,3)4/h7-10,13-14H,11-12H2,1-6H3/b8-7+,10-9+/t13-,14+/m1/s1
InChIKeyNKUBWZVATFFHNH-OTEOONLJSA-N
MW296.48 g/mol
LogP4.21
Rot. Bonds5

About (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one

(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one (PubChem CID 162466811) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one
PubChem CID162466811
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one
SMILESC/C=C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C16H28O3Si/c1-7-8-9-10-14(13-11-12-15(17)18-13)19-20(5,6)16(2,3)4/h7-10,13-14H,11-12H2,1-6H3/b8-7+,10-9+/t13-,14+/m1/s1
InChIKeyNKUBWZVATFFHNH-OTEOONLJSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-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

methyl (5S,6Z,8E,10E,12R,14Z)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14-tetraenoate
CID 13798086
(2R,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-propyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 57326434
[(E,2R,3S,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hex-4-en-3-yl] (E)-but-2-enoate
CID 154708344
(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
CID 154709334
(5S)-5-[(E,1R,4S,5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxyhex-2-enyl]oxolan-2-one
CID 154709337
methyl (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-tris[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14,16-pentaenoate
CID 59755730
methyl (5S,12R,18R)-5,12,18-tris[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14,16-pentaenoate
CID 90850908
4,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]oct-2-en-7-one
CID 144108295
(5S)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10596921
methyl (5S,6Z,8E)-5-[tert-butyl(dimethyl)silyl]oxy-11-(2-octyl-1,3-dioxolan-2-yl)undeca-6,8-dienoate
CID 10625540
(5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10739555
methyl (5S,6Z,8E,12S,14Z)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,14-trienoate
CID 10908005

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one (CID 162466811) is (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one is C/C=C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one?
The InChIKey is NKUBWZVATFFHNH-OTEOONLJSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-8-9-10-14(13-11-12-15(17)18-13)19-20(5,6)16(2,3)4/h7-10,13-14H,11-12H2,1-6H3/b8-7+,10-9+/t13-,14+/m1/s1.
What are the key properties of (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one?
(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one has a molecular weight of 296.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one is sourced from PubChem (CID 162466811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).