[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane

C24H40Si — CID 134903317

IUPAC[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H40Si/c1-18(2)22-15-14-19(3)16-20(22)17-23(24(4,5)6)25(7,8)21-12-10-9-11-13-21/h9-13,17-19,22-23H,14-16H2,1-8H3/b20-17+/t19-,22+,23-/m1/s1
InChIKeyUALZEBWEDRPAGN-YASKEUJTSA-N
MW356.67 g/mol
LogP7.04
Rot. Bonds4

About [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane

[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane (PubChem CID 134903317) has the molecular formula C24H40Si and a molecular weight of 356.67 g/mol. Its IUPAC name is [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane
PubChem CID134903317
Molecular FormulaC24H40Si
Molecular Weight356.67 g/mol
Exact Mass356.29
IUPAC Name[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H40Si/c1-18(2)22-15-14-19(3)16-20(22)17-23(24(4,5)6)25(7,8)21-12-10-9-11-13-21/h9-13,17-19,22-23H,14-16H2,1-8H3/b20-17+/t19-,22+,23-/m1/s1
InChIKeyUALZEBWEDRPAGN-YASKEUJTSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.04
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'}

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Related Compounds

dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane
CID 134903403
[(3S)-4,4-dimethylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 71712408
trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane
CID 15357315
1-methoxy-4-[(1E,2S)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propan-2-yl]benzene
CID 10613233
1-methoxy-3-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propan-2-yl]benzene
CID 10803162
trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
CID 10868949
dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane
CID 102123922
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847

Frequently Asked Questions

What is the IUPAC name of [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane (CID 134903317) is [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane is CC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane?
The InChIKey is UALZEBWEDRPAGN-YASKEUJTSA-N. The full InChI is InChI=1S/C24H40Si/c1-18(2)22-15-14-19(3)16-20(22)17-23(24(4,5)6)25(7,8)21-12-10-9-11-13-21/h9-13,17-19,22-23H,14-16H2,1-8H3/b20-17+/t19-,22+,23-/m1/s1.
What are the key properties of [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane?
[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane has a molecular weight of 356.67 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 134903317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).