2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde

C16H30O2Si — CID 164676102

IUPAC2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde
SMILESC=C1C[C@H](O[Si](CC)(CC)CC)C[C@@H](C)[C@@H]1CC=O
InChIInChI=1S/C16H30O2Si/c1-6-19(7-2,8-3)18-15-11-13(4)16(9-10-17)14(5)12-15/h10,14-16H,4,6-9,11-12H2,1-3,5H3/t14-,15+,16-/m1/s1
InChIKeyYJSKGRNOANIDGA-OWCLPIDISA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds7

About 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde

2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde (PubChem CID 164676102) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde
PubChem CID164676102
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde
SMILESC=C1C[C@H](O[Si](CC)(CC)CC)C[C@@H](C)[C@@H]1CC=O
InChIInChI=1S/C16H30O2Si/c1-6-19(7-2,8-3)18-15-11-13(4)16(9-10-17)14(5)12-15/h10,14-16H,4,6-9,11-12H2,1-3,5H3/t14-,15+,16-/m1/s1
InChIKeyYJSKGRNOANIDGA-OWCLPIDISA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde?
The IUPAC name of 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde (CID 164676102) is 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde?
The canonical SMILES for 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde is C=C1C[C@H](O[Si](CC)(CC)CC)C[C@@H](C)[C@@H]1CC=O.
What is the InChIKey of 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde?
The InChIKey is YJSKGRNOANIDGA-OWCLPIDISA-N. The full InChI is InChI=1S/C16H30O2Si/c1-6-19(7-2,8-3)18-15-11-13(4)16(9-10-17)14(5)12-15/h10,14-16H,4,6-9,11-12H2,1-3,5H3/t14-,15+,16-/m1/s1.
What are the key properties of 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde?
2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde is sourced from PubChem (CID 164676102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).