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24083-19-0 molecular structure
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4-(dodecyloxy)benzaldehyde

ChemBase ID: 81996
Molecular Formular: C19H30O2
Molecular Mass: 290.4403
Monoisotopic Mass: 290.2245802
SMILES and InChIs

SMILES:
O=Cc1ccc(cc1)OCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCOc1ccc(cc1)C=O
InChI:
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-21-19-14-12-18(17-20)13-15-19/h12-15,17H,2-11,16H2,1H3
InChIKey:
ZBEGLEYBWGNZJA-UHFFFAOYSA-N

Cite this record

CBID:81996 http://www.chembase.cn/molecule-81996.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(dodecyloxy)benzaldehyde
IUPAC Traditional name
4-(dodecyloxy)benzaldehyde
Synonyms
1-(4-Formylphenoxy)dodecane
4-[(Dodec-1-yl)oxy]benzaldehyde
4-n-Dodecyloxybenzaldehyde
4-正十二氧基苯甲醛
CAS Number
24083-19-0
MDL Number
MFCD00043523
Beilstein Number
2535031
PubChem SID
162069115
PubChem CID
141069

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 141069 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.4085255  LogD (pH = 7.4) 6.4085255 
Log P 6.4085255  Molar Refractivity 89.7868 cm3
Polarizability 35.02234 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
26-29°C expand Show data source
26-29°C expand Show data source
Boiling Point
165/0.005°C expand Show data source
165°C/0.005mm expand Show data source
Storage Warning
Air Sensitive expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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