(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde

C21H24O2 — CID 11974794

IUPAC(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
SMILESO=C[C@@](OCc1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H24O2/c22-17-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)23-16-18-10-4-1-5-11-18/h1-2,4-7,10-13,17,20H,3,8-9,14-16H2/t21-/m1/s1
InChIKeyOYCKWIYFUBUJBX-OAQYLSRUSA-N
MW308.42 g/mol
LogP4.88
Rot. Bonds6

About (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde

(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde (PubChem CID 11974794) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
PubChem CID11974794
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
SMILESO=C[C@@](OCc1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H24O2/c22-17-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)23-16-18-10-4-1-5-11-18/h1-2,4-7,10-13,17,20H,3,8-9,14-16H2/t21-/m1/s1
InChIKeyOYCKWIYFUBUJBX-OAQYLSRUSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-phenylmethoxypropanenitrile
CID 154277038
2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde
CID 24974530
(2S)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanal
CID 101004595
2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
CID 174829123
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
N-(2-cyclohexyl-2-phenyl-2-trimethylsilyloxyethylidene)hydroxylamine
CID 154299369
3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
CID 71415199
N-cyclopentyl-N-phenylmethoxyformamide
CID 174570352
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
(2S)-2-[cyclohexyl(trityl)amino]propanal
CID 54004777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde?
The IUPAC name of (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde (CID 11974794) is (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde.
What is the SMILES notation for (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde?
The canonical SMILES for (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde is O=C[C@@](OCc1ccccc1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde?
The InChIKey is OYCKWIYFUBUJBX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24O2/c22-17-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)23-16-18-10-4-1-5-11-18/h1-2,4-7,10-13,17,20H,3,8-9,14-16H2/t21-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde?
(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde has a molecular weight of 308.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde is sourced from PubChem (CID 11974794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).