methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane

C20H32OSi — CID 102005829

IUPACmethyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane
SMILESC=CC[Si@](C)(OC1CC(C)CCC1C(C)C)c1ccccc1
InChIInChI=1S/C20H32OSi/c1-6-14-22(5,18-10-8-7-9-11-18)21-20-15-17(4)12-13-19(20)16(2)3/h6-11,16-17,19-20H,1,12-15H2,2-5H3/t17?,19?,20?,22-/m0/s1
InChIKeyMBVZLXFBQNUAFE-GBUUITIBSA-N
MW316.56 g/mol
LogP5.13
Rot. Bonds6

About methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane

methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane (PubChem CID 102005829) has the molecular formula C20H32OSi and a molecular weight of 316.56 g/mol. Its IUPAC name is methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane.

Molecular Properties

Compound Namemethyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane
PubChem CID102005829
Molecular FormulaC20H32OSi
Molecular Weight316.56 g/mol
Exact Mass316.22
IUPAC Namemethyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane
SMILESC=CC[Si@](C)(OC1CC(C)CCC1C(C)C)c1ccccc1
InChIInChI=1S/C20H32OSi/c1-6-14-22(5,18-10-8-7-9-11-18)21-20-15-17(4)12-13-19(20)16(2)3/h6-11,16-17,19-20H,1,12-15H2,2-5H3/t17?,19?,20?,22-/m0/s1
InChIKeyMBVZLXFBQNUAFE-GBUUITIBSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
CID 586507
ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
CID 593339
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
[ethenyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11702254
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[ethenyl(phenyl)phosphoryl]acetate
CID 13256475
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S,3R)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11732083
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11101399
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
CID 6365001
CID 6365001
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025

Frequently Asked Questions

What is the IUPAC name of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane?
The IUPAC name of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane (CID 102005829) is methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane.
What is the SMILES notation for methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane?
The canonical SMILES for methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane is C=CC[Si@](C)(OC1CC(C)CCC1C(C)C)c1ccccc1.
What is the InChIKey of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane?
The InChIKey is MBVZLXFBQNUAFE-GBUUITIBSA-N. The full InChI is InChI=1S/C20H32OSi/c1-6-14-22(5,18-10-8-7-9-11-18)21-20-15-17(4)12-13-19(20)16(2)3/h6-11,16-17,19-20H,1,12-15H2,2-5H3/t17?,19?,20?,22-/m0/s1.
What are the key properties of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane?
methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane has a molecular weight of 316.56 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane is sourced from PubChem (CID 102005829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).