[(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane

C17H32O2Si — CID 10494188

IUPAC[(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane
SMILESC=C1C[C@@H]2[C@H](C)CO[C@@H]2C[C@]1(C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H32O2Si/c1-7-20(8-2,9-3)19-17(6)11-16-15(10-14(17)5)13(4)12-18-16/h13,15-16H,5,7-12H2,1-4,6H3/t13-,15-,16-,17+/m1/s1
InChIKeyXXJMQULVNQFLRX-DZUCGIPZSA-N
MW296.53 g/mol
LogP4.77
Rot. Bonds5

About [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane

[(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane (PubChem CID 10494188) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane
PubChem CID10494188
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane
SMILESC=C1C[C@@H]2[C@H](C)CO[C@@H]2C[C@]1(C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H32O2Si/c1-7-20(8-2,9-3)19-17(6)11-16-15(10-14(17)5)13(4)12-18-16/h13,15-16H,5,7-12H2,1-4,6H3/t13-,15-,16-,17+/m1/s1
InChIKeyXXJMQULVNQFLRX-DZUCGIPZSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.77
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 [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-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 [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane?
The IUPAC name of [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane (CID 10494188) is [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane.
What is the SMILES notation for [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane?
The canonical SMILES for [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane is C=C1C[C@@H]2[C@H](C)CO[C@@H]2C[C@]1(C)O[Si](CC)(CC)CC.
What is the InChIKey of [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane?
The InChIKey is XXJMQULVNQFLRX-DZUCGIPZSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-20(8-2,9-3)19-17(6)11-16-15(10-14(17)5)13(4)12-18-16/h13,15-16H,5,7-12H2,1-4,6H3/t13-,15-,16-,17+/m1/s1.
What are the key properties of [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane?
[(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane has a molecular weight of 296.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6S,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]oxy-triethylsilane is sourced from PubChem (CID 10494188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).