[(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane

C23H40O3Si — CID 70421684

IUPAC[(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CC1=C[C@@H]2CC(OC3CCCCO3)C(CO[Si](C)(C)C(C)(C)C)[C@@H]2CC1
InChIInChI=1S/C23H40O3Si/c1-7-17-11-12-19-18(14-17)15-21(26-22-10-8-9-13-24-22)20(19)16-25-27(5,6)23(2,3)4/h7,14,18-22H,1,8-13,15-16H2,2-6H3/t18-,19-,20?,21?,22?/m1/s1
InChIKeyOURLCDXWLWTKKF-ZZDYOGERSA-N
MW392.66 g/mol
LogP6.08
Rot. Bonds6

About [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 70421684) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID70421684
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Name[(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CC1=C[C@@H]2CC(OC3CCCCO3)C(CO[Si](C)(C)C(C)(C)C)[C@@H]2CC1
InChIInChI=1S/C23H40O3Si/c1-7-17-11-12-19-18(14-17)15-21(26-22-10-8-9-13-24-22)20(19)16-25-27(5,6)23(2,3)4/h7,14,18-22H,1,8-13,15-16H2,2-6H3/t18-,19-,20?,21?,22?/m1/s1
InChIKeyOURLCDXWLWTKKF-ZZDYOGERSA-N
XLogP6.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane 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 [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane (CID 70421684) is [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane is C=CC1=C[C@@H]2CC(OC3CCCCO3)C(CO[Si](C)(C)C(C)(C)C)[C@@H]2CC1.
What is the InChIKey of [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is OURLCDXWLWTKKF-ZZDYOGERSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-7-17-11-12-19-18(14-17)15-21(26-22-10-8-9-13-24-22)20(19)16-25-27(5,6)23(2,3)4/h7,14,18-22H,1,8-13,15-16H2,2-6H3/t18-,19-,20?,21?,22?/m1/s1.
What are the key properties of [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 392.66 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-5-ethenyl-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 70421684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).