2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane

C21H42OSi2 — CID 58761602

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane
SMILESC[Si](C)(C)OCCC1CCC([Si](C)(C)C2CCC3CCCCC32)C1
InChIInChI=1S/C21H42OSi2/c1-23(2,3)22-15-14-17-10-12-19(16-17)24(4,5)21-13-11-18-8-6-7-9-20(18)21/h17-21H,6-16H2,1-5H3
InChIKeyWAJQCNOHHNXTDS-UHFFFAOYSA-N
MW366.74 g/mol
LogP7.08
Rot. Bonds6

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane (PubChem CID 58761602) has the molecular formula C21H42OSi2 and a molecular weight of 366.74 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane
PubChem CID58761602
Molecular FormulaC21H42OSi2
Molecular Weight366.74 g/mol
Exact Mass366.28
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane
SMILESC[Si](C)(C)OCCC1CCC([Si](C)(C)C2CCC3CCCCC32)C1
InChIInChI=1S/C21H42OSi2/c1-23(2,3)22-15-14-17-10-12-19(16-17)24(4,5)21-13-11-18-8-6-7-9-20(18)21/h17-21H,6-16H2,1-5H3
InChIKeyWAJQCNOHHNXTDS-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.74
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane (CID 58761602) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane is C[Si](C)(C)OCCC1CCC([Si](C)(C)C2CCC3CCCCC32)C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane?
The InChIKey is WAJQCNOHHNXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42OSi2/c1-23(2,3)22-15-14-17-10-12-19(16-17)24(4,5)21-13-11-18-8-6-7-9-20(18)21/h17-21H,6-16H2,1-5H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane has a molecular weight of 366.74 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(2-trimethylsilyloxyethyl)cyclopentyl]silane is sourced from PubChem (CID 58761602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).