4-nonanoylbenzaldehyde

C16H22O2 — CID 59691825

IUPAC4-nonanoylbenzaldehyde
SMILESCCCCCCCCC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-16(18)15-11-9-14(13-17)10-12-15/h9-13H,2-8H2,1H3
InChIKeyRXPRCFWZGOZISA-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.43
Rot. Bonds9

About 4-nonanoylbenzaldehyde

4-nonanoylbenzaldehyde (PubChem CID 59691825) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-nonanoylbenzaldehyde.

Molecular Properties

Compound Name4-nonanoylbenzaldehyde
PubChem CID59691825
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-nonanoylbenzaldehyde
SMILESCCCCCCCCC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-16(18)15-11-9-14(13-17)10-12-15/h9-13H,2-8H2,1H3
InChIKeyRXPRCFWZGOZISA-UHFFFAOYSA-N
XLogP4.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.43
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

4-octadec-9-enoylbenzaldehyde
CID 173082747
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-phenylheptadecan-1-one
CID 577626
N-methyl-N-(4-octanoylphenyl)formamide
CID 43340831
6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
CID 157305755
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622

Frequently Asked Questions

What is the IUPAC name of 4-nonanoylbenzaldehyde?
The IUPAC name of 4-nonanoylbenzaldehyde (CID 59691825) is 4-nonanoylbenzaldehyde.
What is the SMILES notation for 4-nonanoylbenzaldehyde?
The canonical SMILES for 4-nonanoylbenzaldehyde is CCCCCCCCC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-nonanoylbenzaldehyde?
The InChIKey is RXPRCFWZGOZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-16(18)15-11-9-14(13-17)10-12-15/h9-13H,2-8H2,1H3.
What are the key properties of 4-nonanoylbenzaldehyde?
4-nonanoylbenzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonanoylbenzaldehyde is sourced from PubChem (CID 59691825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).