(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde

C14H28O2Si — CID 134889630

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)C1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h11-13H,6-10H2,1-5H3/t13-/m1/s1
InChIKeySOHCRMFINHKLGE-CYBMUJFWSA-N
MW256.46 g/mol
LogP4.16
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde (PubChem CID 134889630) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
PubChem CID134889630
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)C1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h11-13H,6-10H2,1-5H3/t13-/m1/s1
InChIKeySOHCRMFINHKLGE-CYBMUJFWSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.16
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

rac-(1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 11746817
1-[(Tert-butyldimethylsilyl)oxy]cyclohexane-1-carbaldehyde
CID 13947339
trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 10729801
rac-(1R,2R)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 137964539
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4,4-difluorocyclohexyl)propanal
CID 141638095
4-Fluoro-1-trimethylsilyloxycyclohexane-1-carbaldehyde
CID 173631327
3-[Tert-butyl(dimethyl)silyl]oxy-3-(4,4-difluorocyclohexyl)propanal
CID 173781458
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
CID 11344921
2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde
CID 101178619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde (CID 134889630) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde is CC(C)(C)[Si](C)(C)O[C@H](C=O)C1CCCCC1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde?
The InChIKey is SOHCRMFINHKLGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h11-13H,6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde has a molecular weight of 256.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde is sourced from PubChem (CID 134889630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).