[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane

C16H30O3Si — CID 11781506

IUPAC[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane
SMILESCCOC(C)O[C@@H]1CC[C@H]2/C(=C\[Si](C)(C)C)CC[C@H]2O1
InChIInChI=1S/C16H30O3Si/c1-6-17-12(2)18-16-10-8-14-13(11-20(3,4)5)7-9-15(14)19-16/h11-12,14-16H,6-10H2,1-5H3/b13-11-/t12?,14-,15+,16-/m0/s1
InChIKeyQZGCNYSEWWXIGF-RZWHTTCOSA-N
MW298.50 g/mol
LogP4.10
Rot. Bonds5

About [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane

[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane (PubChem CID 11781506) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane
PubChem CID11781506
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane
SMILESCCOC(C)O[C@@H]1CC[C@H]2/C(=C\[Si](C)(C)C)CC[C@H]2O1
InChIInChI=1S/C16H30O3Si/c1-6-17-12(2)18-16-10-8-14-13(11-20(3,4)5)7-9-15(14)19-16/h11-12,14-16H,6-10H2,1-5H3/b13-11-/t12?,14-,15+,16-/m0/s1
InChIKeyQZGCNYSEWWXIGF-RZWHTTCOSA-N
XLogP4.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-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 [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane (CID 11781506) is [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane is CCOC(C)O[C@@H]1CC[C@H]2/C(=C\[Si](C)(C)C)CC[C@H]2O1.
What is the InChIKey of [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane?
The InChIKey is QZGCNYSEWWXIGF-RZWHTTCOSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-6-17-12(2)18-16-10-8-14-13(11-20(3,4)5)7-9-15(14)19-16/h11-12,14-16H,6-10H2,1-5H3/b13-11-/t12?,14-,15+,16-/m0/s1.
What are the key properties of [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane?
[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 11781506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).