2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde

C19H36O2Si — CID 10903449

IUPAC2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC[C@@H]1[C@@H](C(C)C)CC=C(C)[C@@H]1CC=O
InChIInChI=1S/C19H36O2Si/c1-7-22(8-2,9-3)21-14-19-17(15(4)5)11-10-16(6)18(19)12-13-20/h10,13,15,17-19H,7-9,11-12,14H2,1-6H3/t17-,18+,19-/m1/s1
InChIKeyPJGJRGXYCAMIRY-CEXWTWQISA-N
MW324.58 g/mol
LogP5.45
Rot. Bonds9

About 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde

2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde (PubChem CID 10903449) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde
PubChem CID10903449
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC[C@@H]1[C@@H](C(C)C)CC=C(C)[C@@H]1CC=O
InChIInChI=1S/C19H36O2Si/c1-7-22(8-2,9-3)21-14-19-17(15(4)5)11-10-16(6)18(19)12-13-20/h10,13,15,17-19H,7-9,11-12,14H2,1-6H3/t17-,18+,19-/m1/s1
InChIKeyPJGJRGXYCAMIRY-CEXWTWQISA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
3-[(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-enyl]cyclohexan-1-one
CID 101625783
2-[(1r,5r,6s)-6-(t-Butyldimethylsilyloxy-methyl)-5-methylcyclohex-3-en-1-yl]ethanal
CID 129746583
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(1S,3E,7E,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,13-triene-1-carbaldehyde
CID 135086555
2-[(1R,6S)-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]-4-methylcyclohex-3-en-1-yl]acetaldehyde
CID 162397380
2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde
CID 11088648
5-(2-Triisopropylsilanyloxy-ethyl)-cyclohex-1-enecarbaldehyde
CID 21986203
(1S,2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-2-hepta-3,4-dienylcyclopent-3-ene-1-carbaldehyde
CID 57151335
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-enal
CID 140765700
(4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal
CID 10598979
(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal
CID 10988413

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde (CID 10903449) is 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde is CC[Si](CC)(CC)OC[C@@H]1[C@@H](C(C)C)CC=C(C)[C@@H]1CC=O.
What is the InChIKey of 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde?
The InChIKey is PJGJRGXYCAMIRY-CEXWTWQISA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-22(8-2,9-3)21-14-19-17(15(4)5)11-10-16(6)18(19)12-13-20/h10,13,15,17-19H,7-9,11-12,14H2,1-6H3/t17-,18+,19-/m1/s1.
What are the key properties of 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde?
2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde has a molecular weight of 324.58 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R,6R)-2-methyl-5-propan-2-yl-6-(triethylsilyloxymethyl)cyclohex-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 10903449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).