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

C28H40OSi — CID 134903403

IUPACdimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](COCc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H40OSi/c1-22(2)28-17-16-23(3)18-25(28)19-27(21-29-20-24-12-8-6-9-13-24)30(4,5)26-14-10-7-11-15-26/h6-15,19,22-23,27-28H,16-18,20-21H2,1-5H3/b25-19+/t23-,27-,28+/m1/s1
InChIKeyCLPRVCNAWYNTHC-VNDYORBYSA-N
MW420.71 g/mol
LogP7.21
Rot. Bonds8

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

dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane (PubChem CID 134903403) has the molecular formula C28H40OSi and a molecular weight of 420.71 g/mol. Its IUPAC name is dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane
PubChem CID134903403
Molecular FormulaC28H40OSi
Molecular Weight420.71 g/mol
Exact Mass420.28
IUPAC Namedimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](COCc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H40OSi/c1-22(2)28-17-16-23(3)18-25(28)19-27(21-29-20-24-12-8-6-9-13-24)30(4,5)26-14-10-7-11-15-26/h6-15,19,22-23,27-28H,16-18,20-21H2,1-5H3/b25-19+/t23-,27-,28+/m1/s1
InChIKeyCLPRVCNAWYNTHC-VNDYORBYSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 57.21
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

[(2S,3E)-2-methyl-3-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propoxy]methylbenzene
CID 101088231
[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane
CID 134903317
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
CID 15316565
(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane
CID 163402353
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
CID 11140431
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
lithium (E)-3-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-1-en-1-olate
CID 23711656

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane (CID 134903403) is dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane is CC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](COCc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane?
The InChIKey is CLPRVCNAWYNTHC-VNDYORBYSA-N. The full InChI is InChI=1S/C28H40OSi/c1-22(2)28-17-16-23(3)18-25(28)19-27(21-29-20-24-12-8-6-9-13-24)30(4,5)26-14-10-7-11-15-26/h6-15,19,22-23,27-28H,16-18,20-21H2,1-5H3/b25-19+/t23-,27-,28+/m1/s1.
What are the key properties of dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane?
dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane has a molecular weight of 420.71 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane is sourced from PubChem (CID 134903403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).