7-(4-tert-butylphenyl)-7-oxoheptanal

C17H24O2 — CID 129295941

IUPAC7-(4-tert-butylphenyl)-7-oxoheptanal
SMILESCC(C)(C)c1ccc(C(=O)CCCCCC=O)cc1
InChIInChI=1S/C17H24O2/c1-17(2,3)15-11-9-14(10-12-15)16(19)8-6-4-5-7-13-18/h9-13H,4-8H2,1-3H3
InChIKeyZDWXGYABMXVGOS-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.32
Rot. Bonds7

About 7-(4-tert-butylphenyl)-7-oxoheptanal

7-(4-tert-butylphenyl)-7-oxoheptanal (PubChem CID 129295941) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-7-oxoheptanal.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-7-oxoheptanal
PubChem CID129295941
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name7-(4-tert-butylphenyl)-7-oxoheptanal
SMILESCC(C)(C)c1ccc(C(=O)CCCCCC=O)cc1
InChIInChI=1S/C17H24O2/c1-17(2,3)15-11-9-14(10-12-15)16(19)8-6-4-5-7-13-18/h9-13H,4-8H2,1-3H3
InChIKeyZDWXGYABMXVGOS-UHFFFAOYSA-N
XLogP4.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.32
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

12-(4-methylphenyl)-12-oxododecanal
CID 11300702
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
9-(4-methylsulfanylphenyl)-9-oxononanal
CID 159977926
1-(4-tert-butylphenyl)hex-5-en-1-one
CID 114974758
ethane-1,2-diol;6-(4-hydroxyphenyl)-6-oxohexanal
CID 175447962
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-one
CID 115792152
1-(4-tert-butylphenyl)hex-5-yn-1-one
CID 115798436
5-(4-octylphenyl)-5-oxopentanal
CID 134936348
6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal
CID 143935071
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
6-(6-methoxy-3-pyridinyl)-6-oxohexanal
CID 130369163

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-7-oxoheptanal?
The IUPAC name of 7-(4-tert-butylphenyl)-7-oxoheptanal (CID 129295941) is 7-(4-tert-butylphenyl)-7-oxoheptanal.
What is the SMILES notation for 7-(4-tert-butylphenyl)-7-oxoheptanal?
The canonical SMILES for 7-(4-tert-butylphenyl)-7-oxoheptanal is CC(C)(C)c1ccc(C(=O)CCCCCC=O)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-7-oxoheptanal?
The InChIKey is ZDWXGYABMXVGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(2,3)15-11-9-14(10-12-15)16(19)8-6-4-5-7-13-18/h9-13H,4-8H2,1-3H3.
What are the key properties of 7-(4-tert-butylphenyl)-7-oxoheptanal?
7-(4-tert-butylphenyl)-7-oxoheptanal has a molecular weight of 260.38 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-7-oxoheptanal is sourced from PubChem (CID 129295941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).