(2R)-4-oxo-2-phenylmethoxydecanal

C17H24O3 — CID 102575981

IUPAC(2R)-4-oxo-2-phenylmethoxydecanal
SMILESCCCCCCC(=O)C[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C17H24O3/c1-2-3-4-8-11-16(19)12-17(13-18)20-14-15-9-6-5-7-10-15/h5-7,9-10,13,17H,2-4,8,11-12,14H2,1H3/t17-/m1/s1
InChIKeyFGGWZXIDLJTMNT-QGZVFWFLSA-N
MW276.38 g/mol
LogP3.70
Rot. Bonds11

About (2R)-4-oxo-2-phenylmethoxydecanal

(2R)-4-oxo-2-phenylmethoxydecanal (PubChem CID 102575981) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-4-oxo-2-phenylmethoxydecanal.

Molecular Properties

Compound Name(2R)-4-oxo-2-phenylmethoxydecanal
PubChem CID102575981
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2R)-4-oxo-2-phenylmethoxydecanal
SMILESCCCCCCC(=O)C[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C17H24O3/c1-2-3-4-8-11-16(19)12-17(13-18)20-14-15-9-6-5-7-10-15/h5-7,9-10,13,17H,2-4,8,11-12,14H2,1H3/t17-/m1/s1
InChIKeyFGGWZXIDLJTMNT-QGZVFWFLSA-N
XLogP3.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-methyl-4-oxo-2-phenylmethoxyhexanal
CID 102575982
2-benzyl-4-oxodecanal
CID 166527306
(2R)-3-hexadecoxy-2-phenylmethoxypropanal
CID 71407988
benzyl 2-hexyl-3-hydroxy-5-oxohexadecanoate
CID 72773184
(19R)-19-(phenylmethoxymethyl)octatriacontane-18,21-dione
CID 54519754
2-hydroxy-3-phenylmethoxyhenicosan-4-one
CID 67839705
(2-phenyl-1-phenylmethoxyethyl) nonanoate
CID 68626794
1-phenylheptadecan-2-one
CID 12920609
N-phenylmethoxyhexanamide
CID 60717350
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
benzyl heptadecanoate
CID 522569
5-O-benzyl 1-O-methyl (2S)-2-(2-oxotridecyl)pentanedioate
CID 161194537

Frequently Asked Questions

What is the IUPAC name of (2R)-4-oxo-2-phenylmethoxydecanal?
The IUPAC name of (2R)-4-oxo-2-phenylmethoxydecanal (CID 102575981) is (2R)-4-oxo-2-phenylmethoxydecanal.
What is the SMILES notation for (2R)-4-oxo-2-phenylmethoxydecanal?
The canonical SMILES for (2R)-4-oxo-2-phenylmethoxydecanal is CCCCCCC(=O)C[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R)-4-oxo-2-phenylmethoxydecanal?
The InChIKey is FGGWZXIDLJTMNT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-3-4-8-11-16(19)12-17(13-18)20-14-15-9-6-5-7-10-15/h5-7,9-10,13,17H,2-4,8,11-12,14H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-4-oxo-2-phenylmethoxydecanal?
(2R)-4-oxo-2-phenylmethoxydecanal has a molecular weight of 276.38 g/mol, XLogP of 3.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-oxo-2-phenylmethoxydecanal is sourced from PubChem (CID 102575981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).