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

C16H30OSi — CID 134860807

IUPAC[(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane
SMILESC=C1CCC[C@@H]2CCC[C@]12O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-5-18(6-2,7-3)17-16-13-9-12-15(16)11-8-10-14(16)4/h15H,4-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyUQOLDFXEAAOMTP-CVEARBPZSA-N
MW266.50 g/mol
LogP5.29
Rot. Bonds5

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

[(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane (PubChem CID 134860807) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane
PubChem CID134860807
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane
SMILESC=C1CCC[C@@H]2CCC[C@]12O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-5-18(6-2,7-3)17-16-13-9-12-15(16)11-8-10-14(16)4/h15H,4-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyUQOLDFXEAAOMTP-CVEARBPZSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(1-methyl-3-methylidene-2-prop-1-en-2-ylcyclopentyl)oxysilane
CID 14911456
[(3aR,4E,7aR)-4-ethylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane
CID 101522397
[(3E,3aR,7aS)-3-ethylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane
CID 101522399
Calcitriol Impuirty 57
CID 176480233

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane?
The IUPAC name of [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane (CID 134860807) is [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane.
What is the SMILES notation for [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane?
The canonical SMILES for [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane is C=C1CCC[C@@H]2CCC[C@]12O[Si](CC)(CC)CC.
What is the InChIKey of [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane?
The InChIKey is UQOLDFXEAAOMTP-CVEARBPZSA-N. The full InChI is InChI=1S/C16H30OSi/c1-5-18(6-2,7-3)17-16-13-9-12-15(16)11-8-10-14(16)4/h15H,4-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane?
[(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-3a-yl]oxy-triethylsilane is sourced from PubChem (CID 134860807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).