2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde

C20H38O2Si — CID 102401916

IUPAC2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde
SMILESCC[Si](CC)(CC)OC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-4-23(5-2,6-3)22-20(17-21,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h17-19H,4-16H2,1-3H3
InChIKeyJGDHHXAKHFHTLN-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.11
Rot. Bonds8

About 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde

2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde (PubChem CID 102401916) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde
PubChem CID102401916
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde
SMILESCC[Si](CC)(CC)OC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-4-23(5-2,6-3)22-20(17-21,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h17-19H,4-16H2,1-3H3
InChIKeyJGDHHXAKHFHTLN-UHFFFAOYSA-N
XLogP6.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.11
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'}

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Related Compounds

1-cyclopentyl-1-triethylsilyloxyethanol
CID 67725511
(2R)-3-fluoro-2-methyl-2-triethylsilyloxypropanal
CID 165380750
2,2-dicyclohexyl-5-propyloctanal
CID 88668514
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
2,2-dicyclohexyldecanal
CID 88668774
7-triethylsilyloxycyclododecan-1-ol
CID 67068092
2,2-dicyclohexyl-2-hydroxyacetaldehyde
CID 91375251
2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal
CID 173312396
tert-butylcyclopentadecane
CID 164774831
[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane
CID 154712273
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde?
The IUPAC name of 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde (CID 102401916) is 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde.
What is the SMILES notation for 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde?
The canonical SMILES for 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde is CC[Si](CC)(CC)OC(C=O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde?
The InChIKey is JGDHHXAKHFHTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-4-23(5-2,6-3)22-20(17-21,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h17-19H,4-16H2,1-3H3.
What are the key properties of 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde?
2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde has a molecular weight of 338.61 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde is sourced from PubChem (CID 102401916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).