cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C23H36OSi — CID 162294814

IUPACcyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCOc1ccc(C2CCCC3C2CCC3[Si](C)(C)C2CCCC2)cc1
InChIInChI=1S/C23H36OSi/c1-24-18-13-11-17(12-14-18)20-9-6-10-22-21(20)15-16-23(22)25(2,3)19-7-4-5-8-19/h11-14,19-23H,4-10,15-16H2,1-3H3
InChIKeyCBGCMDWVKLUQMQ-UHFFFAOYSA-N
MW356.63 g/mol
LogP7.01
Rot. Bonds4

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

cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 162294814) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namecyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID162294814
Molecular FormulaC23H36OSi
Molecular Weight356.63 g/mol
Exact Mass356.25
IUPAC Namecyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCOc1ccc(C2CCCC3C2CCC3[Si](C)(C)C2CCCC2)cc1
InChIInChI=1S/C23H36OSi/c1-24-18-13-11-17(12-14-18)20-9-6-10-22-21(20)15-16-23(22)25(2,3)19-7-4-5-8-19/h11-14,19-23H,4-10,15-16H2,1-3H3
InChIKeyCBGCMDWVKLUQMQ-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane with MolForge

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Related Compounds

dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 165155308
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 66651952
cyclohexyl-(4-methoxyphenoxy)-dimethylsilane
CID 532618
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
CID 162267524
methyl (4bR,8aR,9R)-3-methoxy-9-(4-methoxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1-carboxylate
CID 59504340
9-(4-methoxyphenyl)-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 15123211
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 162294814) is cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is COc1ccc(C2CCCC3C2CCC3[Si](C)(C)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is CBGCMDWVKLUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36OSi/c1-24-18-13-11-17(12-14-18)20-9-6-10-22-21(20)15-16-23(22)25(2,3)19-7-4-5-8-19/h11-14,19-23H,4-10,15-16H2,1-3H3.
What are the key properties of cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 356.63 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 162294814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).