trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane

C21H38OSi2 — CID 11954549

About trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane

trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane (PubChem CID 11954549) has the molecular formula C21H38OSi2 and a molecular weight of 362.71 g/mol. Its IUPAC name is trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane.

Molecular Properties

• Compound Name: trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
• PubChem CID: 11954549
• Molecular Formula: C21H38OSi2
• Molecular Weight: 362.71 g/mol
• Exact Mass: 362.25
• IUPAC Name: trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
• SMILES: C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC#C[Si](C)(C)C)O1)C[Si](C)(C)C
• InChI: InChI=1S/C21H38OSi2/c1-18(15-19(2)17-24(6,7)8)16-21-12-9-11-20(22-21)13-10-14-23(3,4)5/h9,11,18,20-21H,2,12-13,15-17H2,1,3-8H3/t18-,20-,21-/m0/s1
• InChIKey: ROZYVUYAFFDOTF-JBACZVJFSA-N
• XLogP: 6.28
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.71
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane?

The IUPAC name of trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane (CID 11954549) is trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane.

What is the SMILES notation for trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane?

The canonical SMILES for trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane is C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC#C[Si](C)(C)C)O1)C[Si](C)(C)C.

What is the InChIKey of trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane?

The InChIKey is ROZYVUYAFFDOTF-JBACZVJFSA-N. The full InChI is InChI=1S/C21H38OSi2/c1-18(15-19(2)17-24(6,7)8)16-21-12-9-11-20(22-21)13-10-14-23(3,4)5/h9,11,18,20-21H,2,12-13,15-17H2,1,3-8H3/t18-,20-,21-/m0/s1.

What are the key properties of trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane?

trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane has a molecular weight of 362.71 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane is sourced from PubChem (CID 11954549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).