[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane

C33H52Si — CID 59985902

IUPAC[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane
SMILESCCCCCCCCC[Si](C1CCCCC1)(C1CCC2C=CC=CC21)[C@H]1CCC2C=CC=CC21
InChIInChI=1S/C33H52Si/c1-2-3-4-5-6-7-15-26-34(29-18-9-8-10-19-29,32-24-22-27-16-11-13-20-30(27)32)33-25-23-28-17-12-14-21-31(28)33/h11-14,16-17,20-21,27-33H,2-10,15,18-19,22-26H2,1H3/t27?,28?,30?,31?,32-,33?,34?/m0/s1
InChIKeyNJBOFZZCDIRQFR-MJRKIHDRSA-N
MW476.87 g/mol
LogP10.56
Rot. Bonds11

About [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane

[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane (PubChem CID 59985902) has the molecular formula C33H52Si and a molecular weight of 476.87 g/mol. Its IUPAC name is [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane.

Molecular Properties

Compound Name[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane
PubChem CID59985902
Molecular FormulaC33H52Si
Molecular Weight476.87 g/mol
Exact Mass476.38
IUPAC Name[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane
SMILESCCCCCCCCC[Si](C1CCCCC1)(C1CCC2C=CC=CC21)[C@H]1CCC2C=CC=CC21
InChIInChI=1S/C33H52Si/c1-2-3-4-5-6-7-15-26-34(29-18-9-8-10-19-29,32-24-22-27-16-11-13-20-30(27)32)33-25-23-28-17-12-14-21-31(28)33/h11-14,16-17,20-21,27-33H,2-10,15,18-19,22-26H2,1H3/t27?,28?,30?,31?,32-,33?,34?/m0/s1
InChIKeyNJBOFZZCDIRQFR-MJRKIHDRSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.87
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane with MolForge

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Related Compounds

cyclohexyl-dimethoxy-nonylsilane
CID 151457916
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
CID 123504348
dicyclopentyl-heptyl-methylsilane
CID 162290735
tricyclohexyl(propyl)silane
CID 140649547
cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane
CID 140840487
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
CID 23230084
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297833
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-propylsiletane
CID 18512859
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 164724338
bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane
CID 59879153
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
cyclohexyl-dodecyl-methylsulfanium
CID 158523426

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane?
The IUPAC name of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane (CID 59985902) is [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane.
What is the SMILES notation for [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane?
The canonical SMILES for [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane is CCCCCCCCC[Si](C1CCCCC1)(C1CCC2C=CC=CC21)[C@H]1CCC2C=CC=CC21.
What is the InChIKey of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane?
The InChIKey is NJBOFZZCDIRQFR-MJRKIHDRSA-N. The full InChI is InChI=1S/C33H52Si/c1-2-3-4-5-6-7-15-26-34(29-18-9-8-10-19-29,32-24-22-27-16-11-13-20-30(27)32)33-25-23-28-17-12-14-21-31(28)33/h11-14,16-17,20-21,27-33H,2-10,15,18-19,22-26H2,1H3/t27?,28?,30?,31?,32-,33?,34?/m0/s1.
What are the key properties of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane?
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane has a molecular weight of 476.87 g/mol, XLogP of 10.56, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane is sourced from PubChem (CID 59985902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).