tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane

C38H68O4Si — CID 101156453

IUPACtert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane
SMILESC/C(=C\CC/C=C(\CC/C=C(\C)CC[C@@H]1OC1(C)C)O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C38H68O4Si/c1-29(20-17-21-30(2)26-28-34-37(9,10)42-38(11,12)40-34)19-15-16-23-32(41-43(13,14)35(4,5)6)24-18-22-31(3)25-27-33-36(7,8)39-33/h19,21-23,33-34H,15-18,20,24-28H2,1-14H3/b29-19+,30-21+,31-22+,32-23+/t33-,34+/m0/s1
InChIKeyVCEDPIRCKJKNNR-BZLVLJIDSA-N
MW617.04 g/mol
LogP11.74
Rot. Bonds17

About tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane

tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane (PubChem CID 101156453) has the molecular formula C38H68O4Si and a molecular weight of 617.04 g/mol. Its IUPAC name is tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane
PubChem CID101156453
Molecular FormulaC38H68O4Si
Molecular Weight617.04 g/mol
Exact Mass616.49
IUPAC Nametert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane
SMILESC/C(=C\CC/C=C(\CC/C=C(\C)CC[C@@H]1OC1(C)C)O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C38H68O4Si/c1-29(20-17-21-30(2)26-28-34-37(9,10)42-38(11,12)40-34)19-15-16-23-32(41-43(13,14)35(4,5)6)24-18-22-31(3)25-27-33-36(7,8)39-33/h19,21-23,33-34H,15-18,20,24-28H2,1-14H3/b29-19+,30-21+,31-22+,32-23+/t33-,34+/m0/s1
InChIKeyVCEDPIRCKJKNNR-BZLVLJIDSA-N
XLogP11.74
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.04
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane 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

2-[10-(3,3-Dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 72829604
tert-butyl(((2E,6E)-9-((S)-3,3-dimethyloxiran-2-yl)-1-(1,3-dioxolan-2-yl)-7-methylnona-2,6-dien-3-yl)oxy)dimethylsilane
CID 127054613
tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate
CID 135024075
tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane
CID 10994930
tert-butyl-[(3E,7Z,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane
CID 11204329
tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane
CID 11328473
2-[(3E,7E)-10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 11393106
[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate
CID 23241047
tert-butyl [(2S,3S)-3-[(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylundeca-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate
CID 71623568
tert-butyl-[(2S,5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane
CID 101253747
(5R)-4,4-dimethyl-5-[(3E,7E)-3-methyl-11-(trimethylsilylmethyl)dodeca-3,7,11-trienyl]-1,3-dioxolan-2-one
CID 101933736
tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane
CID 132551502

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane (CID 101156453) is tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane is C/C(=C\CC/C=C(\CC/C=C(\C)CC[C@@H]1OC1(C)C)O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CC[C@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane?
The InChIKey is VCEDPIRCKJKNNR-BZLVLJIDSA-N. The full InChI is InChI=1S/C38H68O4Si/c1-29(20-17-21-30(2)26-28-34-37(9,10)42-38(11,12)40-34)19-15-16-23-32(41-43(13,14)35(4,5)6)24-18-22-31(3)25-27-33-36(7,8)39-33/h19,21-23,33-34H,15-18,20,24-28H2,1-14H3/b29-19+,30-21+,31-22+,32-23+/t33-,34+/m0/s1.
What are the key properties of tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane?
tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane has a molecular weight of 617.04 g/mol, XLogP of 11.74, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,7E,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane is sourced from PubChem (CID 101156453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).