[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol

C23H40O4Si — CID 11327302

About [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol

[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 11327302) has the molecular formula C23H40O4Si and a molecular weight of 408.66 g/mol. Its IUPAC name is [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

• Compound Name: [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol
• PubChem CID: 11327302
• Molecular Formula: C23H40O4Si
• Molecular Weight: 408.66 g/mol
• Exact Mass: 408.27
• IUPAC Name: [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol
• SMILES: CC1=C(/C=C/C2COC(C)(C)OC2)[C@@](C)(CO)CC=C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H40O4Si/c1-17-19(11-10-18-14-25-22(5,6)26-15-18)23(7,16-24)13-12-20(17)27-28(8,9)21(2,3)4/h10-12,18,24H,13-16H2,1-9H3/b11-10+/t23-/m1/s1
• InChIKey: MRJTXWCYYZCBHA-BREAQWACSA-N
• XLogP: 5.57
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.66
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol?

The IUPAC name of [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol (CID 11327302) is [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol.

What is the SMILES notation for [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol?

The canonical SMILES for [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol is CC1=C(/C=C/C2COC(C)(C)OC2)[C@@](C)(CO)CC=C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol?

The InChIKey is MRJTXWCYYZCBHA-BREAQWACSA-N. The full InChI is InChI=1S/C23H40O4Si/c1-17-19(11-10-18-14-25-22(5,6)26-15-18)23(7,16-24)13-12-20(17)27-28(8,9)21(2,3)4/h10-12,18,24H,13-16H2,1-9H3/b11-10+/t23-/m1/s1.

What are the key properties of [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol?

[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 408.66 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 11327302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).