4-(8-methyl-7-oxonon-8-enyl)benzaldehyde

C17H22O2 — CID 158019415

IUPAC4-(8-methyl-7-oxonon-8-enyl)benzaldehyde
SMILESC=C(C)C(=O)CCCCCCc1ccc(C=O)cc1
InChIInChI=1S/C17H22O2/c1-14(2)17(19)8-6-4-3-5-7-15-9-11-16(13-18)12-10-15/h9-13H,1,3-8H2,2H3
InChIKeyOUMWMOPELMMXSY-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.14
Rot. Bonds9

About 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde

4-(8-methyl-7-oxonon-8-enyl)benzaldehyde (PubChem CID 158019415) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde.

Molecular Properties

Compound Name4-(8-methyl-7-oxonon-8-enyl)benzaldehyde
PubChem CID158019415
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-(8-methyl-7-oxonon-8-enyl)benzaldehyde
SMILESC=C(C)C(=O)CCCCCCc1ccc(C=O)cc1
InChIInChI=1S/C17H22O2/c1-14(2)17(19)8-6-4-3-5-7-15-9-11-16(13-18)12-10-15/h9-13H,1,3-8H2,2H3
InChIKeyOUMWMOPELMMXSY-UHFFFAOYSA-N
XLogP4.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.14
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
2-(4-formylphenyl)ethyl 2-methylprop-2-enoate
CID 132521284
ethane;4-pentylbenzaldehyde
CID 143882863
4-(7-methyloctyl)benzaldehyde
CID 173431651
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195
2-methyl-5-(4-methylphenyl)pent-1-en-3-one
CID 105113096
2-methyl-8-(2-propan-2-yl-4-pyridinyl)oct-1-en-3-one
CID 155188827
hexanoic acid;4-propylbenzaldehyde
CID 175009771
1-[4-[4-[4-(7-hydroxyheptyl)phenyl]phenyl]phenyl]-3-methylbut-3-en-2-one
CID 58687431
3-(4-formylphenyl)propanamide
CID 66485595
heptane;4-(2-hydroxyethyl)benzaldehyde
CID 158446902
methyl 3-(4-formylphenyl)propanoate
CID 11063253

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde?
The IUPAC name of 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde (CID 158019415) is 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde.
What is the SMILES notation for 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde?
The canonical SMILES for 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde is C=C(C)C(=O)CCCCCCc1ccc(C=O)cc1.
What is the InChIKey of 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde?
The InChIKey is OUMWMOPELMMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-14(2)17(19)8-6-4-3-5-7-15-9-11-16(13-18)12-10-15/h9-13H,1,3-8H2,2H3.
What are the key properties of 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde?
4-(8-methyl-7-oxonon-8-enyl)benzaldehyde has a molecular weight of 258.36 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-7-oxonon-8-enyl)benzaldehyde is sourced from PubChem (CID 158019415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).