tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane

C21H40O3Si — CID 10090449

About tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane (PubChem CID 10090449) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
• PubChem CID: 10090449
• Molecular Formula: C21H40O3Si
• Molecular Weight: 368.63 g/mol
• Exact Mass: 368.27
• IUPAC Name: tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
• SMILES: C[C@H]1CC=C(C[C@H]2OC(C)(C)OC[C@H]2CO[Si](C)(C)C(C)(C)C)CC1
• InChI: InChI=1S/C21H40O3Si/c1-16-9-11-17(12-10-16)13-19-18(14-22-21(5,6)24-19)15-23-25(7,8)20(2,3)4/h11,16,18-19H,9-10,12-15H2,1-8H3/t16-,18-,19+/m0/s1
• InChIKey: JCUHGVXWTYWYSK-YTQUADARSA-N
• XLogP: 5.91
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.63
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane (CID 10090449) is tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane is C[C@H]1CC=C(C[C@H]2OC(C)(C)OC[C@H]2CO[Si](C)(C)C(C)(C)C)CC1.

What is the InChIKey of tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane?

The InChIKey is JCUHGVXWTYWYSK-YTQUADARSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-16-9-11-17(12-10-16)13-19-18(14-22-21(5,6)24-19)15-23-25(7,8)20(2,3)4/h11,16,18-19H,9-10,12-15H2,1-8H3/t16-,18-,19+/m0/s1.

What are the key properties of tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane?

tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane has a molecular weight of 368.63 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10090449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).