2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane

C16H30OSi — CID 11097498

IUPAC2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
SMILESC[C@H]1CCC=C2CC[C@H](OCC[Si](C)(C)C)[C@@]21C
InChIInChI=1S/C16H30OSi/c1-13-7-6-8-14-9-10-15(16(13,14)2)17-11-12-18(3,4)5/h8,13,15H,6-7,9-12H2,1-5H3/t13-,15-,16+/m0/s1
InChIKeyVCXPHORXAMKBRY-CWRNSKLLSA-N
MW266.50 g/mol
LogP4.87
Rot. Bonds4

About 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane

2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane (PubChem CID 11097498) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
PubChem CID11097498
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
SMILESC[C@H]1CCC=C2CC[C@H](OCC[Si](C)(C)C)[C@@]21C
InChIInChI=1S/C16H30OSi/c1-13-7-6-8-14-9-10-15(16(13,14)2)17-11-12-18(3,4)5/h8,13,15H,6-7,9-12H2,1-5H3/t13-,15-,16+/m0/s1
InChIKeyVCXPHORXAMKBRY-CWRNSKLLSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane (CID 11097498) is 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane is C[C@H]1CCC=C2CC[C@H](OCC[Si](C)(C)C)[C@@]21C.
What is the InChIKey of 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
The InChIKey is VCXPHORXAMKBRY-CWRNSKLLSA-N. The full InChI is InChI=1S/C16H30OSi/c1-13-7-6-8-14-9-10-15(16(13,14)2)17-11-12-18(3,4)5/h8,13,15H,6-7,9-12H2,1-5H3/t13-,15-,16+/m0/s1.
What are the key properties of 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,7S,7aR)-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane is sourced from PubChem (CID 11097498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).