3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane

C26H32O2Si — CID 11246709

IUPAC3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane
SMILESCOCC#C[Si](O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O2Si/c1-20-24-18-21(26(24,2)3)19-25(20)28-29(17-11-16-27-4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,20-21,24-25H,16,18-19H2,1-4H3/t20-,21+,24-,25-/m0/s1
InChIKeyXMNHNFMNGSJJNC-JQOLTRQRSA-N
MW404.63 g/mol
LogP4.02
Rot. Bonds5

About 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane

3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane (PubChem CID 11246709) has the molecular formula C26H32O2Si and a molecular weight of 404.63 g/mol. Its IUPAC name is 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane.

Molecular Properties

Compound Name3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane
PubChem CID11246709
Molecular FormulaC26H32O2Si
Molecular Weight404.63 g/mol
Exact Mass404.22
IUPAC Name3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane
SMILESCOCC#C[Si](O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O2Si/c1-20-24-18-21(26(24,2)3)19-25(20)28-29(17-11-16-27-4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,20-21,24-25H,16,18-19H2,1-4H3/t20-,21+,24-,25-/m0/s1
InChIKeyXMNHNFMNGSJJNC-JQOLTRQRSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane 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 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane?
The IUPAC name of 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane (CID 11246709) is 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane.
What is the SMILES notation for 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane?
The canonical SMILES for 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane is COCC#C[Si](O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane?
The InChIKey is XMNHNFMNGSJJNC-JQOLTRQRSA-N. The full InChI is InChI=1S/C26H32O2Si/c1-20-24-18-21(26(24,2)3)19-25(20)28-29(17-11-16-27-4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,20-21,24-25H,16,18-19H2,1-4H3/t20-,21+,24-,25-/m0/s1.
What are the key properties of 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane?
3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane has a molecular weight of 404.63 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-ynyl-diphenyl-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]silane is sourced from PubChem (CID 11246709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).