cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane

C20H40Si — CID 90989258

IUPACcyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane
SMILESCC1=C(C)[C@@H]([Si](C)(C)C2CCCCC2)[C@H](C)[C@@H]1C.CCC
InChIInChI=1S/C17H32Si.C3H8/c1-12-13(2)15(4)17(14(12)3)18(5,6)16-10-8-7-9-11-16;1-3-2/h12,14,16-17H,7-11H2,1-6H3;3H2,1-2H3/t12-,14-,17+;/m1./s1
InChIKeyXBQKERNDEALGNK-ZNTOYGBFSA-N
MW308.63 g/mol
LogP7.44
Rot. Bonds2

About cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane

cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane (PubChem CID 90989258) has the molecular formula C20H40Si and a molecular weight of 308.63 g/mol. Its IUPAC name is cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane
PubChem CID90989258
Molecular FormulaC20H40Si
Molecular Weight308.63 g/mol
Exact Mass308.29
IUPAC Namecyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane
SMILESCC1=C(C)[C@@H]([Si](C)(C)C2CCCCC2)[C@H](C)[C@@H]1C.CCC
InChIInChI=1S/C17H32Si.C3H8/c1-12-13(2)15(4)17(14(12)3)18(5,6)16-10-8-7-9-11-16;1-3-2/h12,14,16-17H,7-11H2,1-6H3;3H2,1-2H3/t12-,14-,17+;/m1./s1
InChIKeyXBQKERNDEALGNK-ZNTOYGBFSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane with MolForge

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Related Compounds

1-Butene, 1-cyclohexyl-2-diethylboryl-1-trimethylsilyl-, (E)-
CID 5366656
[3-Cyclohexyl-2-(trimethylsilylmethyl)prop-2-enyl]-trimethylsilane
CID 86100675
[2-(4-Tert-butylcyclohexylidene)-3-trimethylsilylpropyl]-trimethylsilane
CID 102154705
[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-ethyl-dimethylsilane
CID 134903757
(5-Cyclohexyl-4-ethyl-1,1-dimethylsilol-2-yl)-trimethylsilane
CID 134968531
CID 176542871
CID 176542871
2-Bicyclo[2.2.1]hept-1-enyl(triethyl)silane
CID 22726329
2-Bicyclo[2.2.1]hept-1-enyl(trimethyl)silane
CID 23499941
dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane
CID 54417051
cyclohexyl-dimethyl-[(1R,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 59895391
cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 90989259
cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 91510943

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane?
The IUPAC name of cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane (CID 90989258) is cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane.
What is the SMILES notation for cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane?
The canonical SMILES for cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane is CC1=C(C)[C@@H]([Si](C)(C)C2CCCCC2)[C@H](C)[C@@H]1C.CCC.
What is the InChIKey of cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane?
The InChIKey is XBQKERNDEALGNK-ZNTOYGBFSA-N. The full InChI is InChI=1S/C17H32Si.C3H8/c1-12-13(2)15(4)17(14(12)3)18(5,6)16-10-8-7-9-11-16;1-3-2/h12,14,16-17H,7-11H2,1-6H3;3H2,1-2H3/t12-,14-,17+;/m1./s1.
What are the key properties of cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane?
cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane has a molecular weight of 308.63 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane is sourced from PubChem (CID 90989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).