6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

C19H32O4Si — CID 135011916

IUPAC6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC[C@H](C/C=C\C=C\C1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-14-17(20)22-19(5,6)21-16/h9-11,13-15H,12H2,1-8H3/b10-9-,13-11+/t15-/m1/s1
InChIKeyNQGIMPIHVXYOQN-NOOGCFTESA-N
MW352.55 g/mol
LogP5.09
Rot. Bonds6

About 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 135011916) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID135011916
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC[C@H](C/C=C\C=C\C1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-14-17(20)22-19(5,6)21-16/h9-11,13-15H,12H2,1-8H3/b10-9-,13-11+/t15-/m1/s1
InChIKeyNQGIMPIHVXYOQN-NOOGCFTESA-N
XLogP5.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-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

Frequently Asked Questions

What is the IUPAC name of 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 135011916) is 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is C[C@H](C/C=C\C=C\C1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is NQGIMPIHVXYOQN-NOOGCFTESA-N. The full InChI is InChI=1S/C19H32O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-14-17(20)22-19(5,6)21-16/h9-11,13-15H,12H2,1-8H3/b10-9-,13-11+/t15-/m1/s1.
What are the key properties of 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 352.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 135011916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).