[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane

C24H42OSi2 — CID 135063038

IUPAC[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane
SMILESC=C[C@H]([C@@H](O[Si](CC)(CC)CC)C1CCCCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H42OSi2/c1-7-23(26(5,6)22-19-15-12-16-20-22)24(21-17-13-11-14-18-21)25-27(8-2,9-3)10-4/h7,12,15-16,19-21,23-24H,1,8-11,13-14,17-18H2,2-6H3/t23-,24+/m1/s1
InChIKeyALCNNRXPXJUBAS-RPWUZVMVSA-N
MW402.77 g/mol
LogP7.13
Rot. Bonds10

About [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane

[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane (PubChem CID 135063038) has the molecular formula C24H42OSi2 and a molecular weight of 402.77 g/mol. Its IUPAC name is [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane
PubChem CID135063038
Molecular FormulaC24H42OSi2
Molecular Weight402.77 g/mol
Exact Mass402.28
IUPAC Name[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane
SMILESC=C[C@H]([C@@H](O[Si](CC)(CC)CC)C1CCCCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H42OSi2/c1-7-23(26(5,6)22-19-15-12-16-20-22)24(21-17-13-11-14-18-21)25-27(8-2,9-3)10-4/h7,12,15-16,19-21,23-24H,1,8-11,13-14,17-18H2,2-6H3/t23-,24+/m1/s1
InChIKeyALCNNRXPXJUBAS-RPWUZVMVSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.13
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

[(Z,1R)-2-(cyclohexylmethyl)-1-phenylbut-2-enoxy]-triethylsilane
CID 11473834
[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 102436050
oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane
CID 141200033
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
[(3S)-4,4-dimethylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 71712408
(3aR,7aR)-1,3-dimethyl-2-[(1S)-1-phenylprop-2-enoxy]-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole
CID 23421674
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
methyl-phenyl-di(propan-2-yloxy)silane
CID 15206336
[(E)-1-cyclohexyl-4-[dimethyl(phenyl)silyl]pent-2-enyl] acetate
CID 10688850
[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate
CID 102124168
dimethyl-phenyl-[(E)-5-phenyl-5-triethylsilyloxypent-2-enyl]silane
CID 101268888

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane?
The IUPAC name of [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane (CID 135063038) is [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane.
What is the SMILES notation for [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane?
The canonical SMILES for [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane is C=C[C@H]([C@@H](O[Si](CC)(CC)CC)C1CCCCC1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane?
The InChIKey is ALCNNRXPXJUBAS-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H42OSi2/c1-7-23(26(5,6)22-19-15-12-16-20-22)24(21-17-13-11-14-18-21)25-27(8-2,9-3)10-4/h7,12,15-16,19-21,23-24H,1,8-11,13-14,17-18H2,2-6H3/t23-,24+/m1/s1.
What are the key properties of [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane?
[(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane has a molecular weight of 402.77 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-cyclohexyl-2-[dimethyl(phenyl)silyl]but-3-enoxy]-triethylsilane is sourced from PubChem (CID 135063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).