2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde

C24H32O2Si — CID 86594888

IUPAC2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H](CC=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-24(2,3)27(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-21-12-10-11-20(19-21)17-18-25/h4-9,13-16,18,20-21H,10-12,17,19H2,1-3H3/t20-,21-/m1/s1
InChIKeyHNJQIGJPLYPMPU-NHCUHLMSSA-N
MW380.60 g/mol
LogP4.71
Rot. Bonds6

About 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde

2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde (PubChem CID 86594888) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
PubChem CID86594888
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Name2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H](CC=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-24(2,3)27(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-21-12-10-11-20(19-21)17-18-25/h4-9,13-16,18,20-21H,10-12,17,19H2,1-3H3/t20-,21-/m1/s1
InChIKeyHNJQIGJPLYPMPU-NHCUHLMSSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.71
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

tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360
4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
CID 69240889
tert-butyl 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 69241608
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 21082808
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde?
The IUPAC name of 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde (CID 86594888) is 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde?
The canonical SMILES for 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde is CC(C)(C)[Si](O[C@@H]1CCC[C@H](CC=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde?
The InChIKey is HNJQIGJPLYPMPU-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-24(2,3)27(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-21-12-10-11-20(19-21)17-18-25/h4-9,13-16,18,20-21H,10-12,17,19H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde?
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde has a molecular weight of 380.60 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde is sourced from PubChem (CID 86594888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).