4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane

C26H34O2Si — CID 11047809

IUPAC4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane
SMILESC=CCC(CC#C[Si](C)(C)C)(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C26H34O2Si/c1-5-17-26(18-12-19-29(2,3)4,22-27-20-24-13-8-6-9-14-24)23-28-21-25-15-10-7-11-16-25/h5-11,13-16H,1,17-18,20-23H2,2-4H3
InChIKeyCDUMUQIBTGVWEX-UHFFFAOYSA-N
MW406.64 g/mol
LogP6.25
Rot. Bonds11

About 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane

4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane (PubChem CID 11047809) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane
PubChem CID11047809
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Name4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane
SMILESC=CCC(CC#C[Si](C)(C)C)(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C26H34O2Si/c1-5-17-26(18-12-19-29(2,3)4,22-27-20-24-13-8-6-9-14-24)23-28-21-25-15-10-7-11-16-25/h5-11,13-16H,1,17-18,20-23H2,2-4H3
InChIKeyCDUMUQIBTGVWEX-UHFFFAOYSA-N
XLogP6.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane 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 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane?
The IUPAC name of 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane (CID 11047809) is 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane.
What is the SMILES notation for 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane?
The canonical SMILES for 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane is C=CCC(CC#C[Si](C)(C)C)(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane?
The InChIKey is CDUMUQIBTGVWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-5-17-26(18-12-19-29(2,3)4,22-27-20-24-13-8-6-9-14-24)23-28-21-25-15-10-7-11-16-25/h5-11,13-16H,1,17-18,20-23H2,2-4H3.
What are the key properties of 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane?
4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane has a molecular weight of 406.64 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane is sourced from PubChem (CID 11047809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).