2-benzyl-4-oxodecanal

C17H24O2 — CID 166527306

IUPAC2-benzyl-4-oxodecanal
SMILESCCCCCCC(=O)CC(C=O)Cc1ccccc1
InChIInChI=1S/C17H24O2/c1-2-3-4-8-11-17(19)13-16(14-18)12-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3
InChIKeyBEFZNOXHHKRXDR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.97
Rot. Bonds10

About 2-benzyl-4-oxodecanal

2-benzyl-4-oxodecanal (PubChem CID 166527306) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-benzyl-4-oxodecanal.

Molecular Properties

Compound Name2-benzyl-4-oxodecanal
PubChem CID166527306
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-benzyl-4-oxodecanal
SMILESCCCCCCC(=O)CC(C=O)Cc1ccccc1
InChIInChI=1S/C17H24O2/c1-2-3-4-8-11-17(19)13-16(14-18)12-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3
InChIKeyBEFZNOXHHKRXDR-UHFFFAOYSA-N
XLogP3.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2R)-4-oxo-2-phenylmethoxydecanal
CID 102575981
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
1-phenylheptadecan-2-one
CID 12920609
ethyl 3-benzyl-4-oxobutanoate
CID 54373110
3-(octanoylamino)-4-phenylbutanoic acid
CID 67920843
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
4-oxo-7-phenyl-2-(thiophen-2-ylmethyl)heptanal
CID 166527319

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-oxodecanal?
The IUPAC name of 2-benzyl-4-oxodecanal (CID 166527306) is 2-benzyl-4-oxodecanal.
What is the SMILES notation for 2-benzyl-4-oxodecanal?
The canonical SMILES for 2-benzyl-4-oxodecanal is CCCCCCC(=O)CC(C=O)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-oxodecanal?
The InChIKey is BEFZNOXHHKRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-3-4-8-11-17(19)13-16(14-18)12-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3.
What are the key properties of 2-benzyl-4-oxodecanal?
2-benzyl-4-oxodecanal has a molecular weight of 260.38 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-oxodecanal is sourced from PubChem (CID 166527306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).