[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane

C15H28O2Si — CID 46901142

IUPAC[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane
SMILESC/C=C1\CO[C@@H]2CCC[C@]12O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O2Si/c1-5-13-12-16-14-10-9-11-15(13,14)17-18(6-2,7-3)8-4/h5,14H,6-12H2,1-4H3/b13-5+/t14-,15+/m1/s1
InChIKeyMPCRYGUBUKLLCS-MZGVWUSBSA-N
MW268.47 g/mol
LogP4.28
Rot. Bonds5

About [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane

[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane (PubChem CID 46901142) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane
PubChem CID46901142
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane
SMILESC/C=C1\CO[C@@H]2CCC[C@]12O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O2Si/c1-5-13-12-16-14-10-9-11-15(13,14)17-18(6-2,7-3)8-4/h5,14H,6-12H2,1-4H3/b13-5+/t14-,15+/m1/s1
InChIKeyMPCRYGUBUKLLCS-MZGVWUSBSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.28
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'}

Analyze [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane 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 [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane?
The IUPAC name of [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane (CID 46901142) is [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane.
What is the SMILES notation for [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane?
The canonical SMILES for [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane is C/C=C1\CO[C@@H]2CCC[C@]12O[Si](CC)(CC)CC.
What is the InChIKey of [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane?
The InChIKey is MPCRYGUBUKLLCS-MZGVWUSBSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-5-13-12-16-14-10-9-11-15(13,14)17-18(6-2,7-3)8-4/h5,14H,6-12H2,1-4H3/b13-5+/t14-,15+/m1/s1.
What are the key properties of [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane?
[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane has a molecular weight of 268.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane is sourced from PubChem (CID 46901142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).