2-cyclohexyl-2-phenylmethoxyacetaldehyde

C15H20O2 — CID 10922402

IUPAC2-cyclohexyl-2-phenylmethoxyacetaldehyde
SMILESO=CC(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20O2/c16-11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14-15H,2,5-6,9-10,12H2
InChIKeyAKHOMAUEAISMTN-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.35
Rot. Bonds5

About 2-cyclohexyl-2-phenylmethoxyacetaldehyde

2-cyclohexyl-2-phenylmethoxyacetaldehyde (PubChem CID 10922402) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenylmethoxyacetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-2-phenylmethoxyacetaldehyde
PubChem CID10922402
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-cyclohexyl-2-phenylmethoxyacetaldehyde
SMILESO=CC(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20O2/c16-11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14-15H,2,5-6,9-10,12H2
InChIKeyAKHOMAUEAISMTN-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.35
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

1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
cyclohexyl(phenylmethoxy)methanol
CID 54334195
N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide
CID 57287891
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339
(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
CID 102256914
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
acetaldehyde;2-cyclopentylpropylbenzene;ethane
CID 170581057
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenylmethoxyacetaldehyde?
The IUPAC name of 2-cyclohexyl-2-phenylmethoxyacetaldehyde (CID 10922402) is 2-cyclohexyl-2-phenylmethoxyacetaldehyde.
What is the SMILES notation for 2-cyclohexyl-2-phenylmethoxyacetaldehyde?
The canonical SMILES for 2-cyclohexyl-2-phenylmethoxyacetaldehyde is O=CC(OCc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-phenylmethoxyacetaldehyde?
The InChIKey is AKHOMAUEAISMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14-15H,2,5-6,9-10,12H2.
What are the key properties of 2-cyclohexyl-2-phenylmethoxyacetaldehyde?
2-cyclohexyl-2-phenylmethoxyacetaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenylmethoxyacetaldehyde is sourced from PubChem (CID 10922402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).