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103-08-2 molecular structure
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5-ethylnonan-2-ol

ChemBase ID: 107573
Molecular Formular: C11H24O
Molecular Mass: 172.30766
Monoisotopic Mass: 172.18271539
SMILES and InChIs

SMILES:
CCCCC(CC)CCC(C)O
Canonical SMILES:
CCCCC(CCC(O)C)CC
InChI:
InChI=1S/C11H24O/c1-4-6-7-11(5-2)9-8-10(3)12/h10-12H,4-9H2,1-3H3
InChIKey:
WYXKGYXADPUOOM-UHFFFAOYSA-N

Cite this record

CBID:107573 http://www.chembase.cn/molecule-107573.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethylnonan-2-ol
IUPAC Traditional name
2-nonanol, 5-ethyl-
Synonyms
5-ETHYL-2-NONANOL
CAS Number
103-08-2
PubChem SID
162094832
PubChem CID
7634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05204221 external link Add to cart Please log in.
Data Source Data ID
PubChem 7634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.609026  H Acceptors
H Donor LogD (pH = 5.5) 3.7317593 
LogD (pH = 7.4) 3.7317593  Log P 3.7317593 
Molar Refractivity 54.1073 cm3 Polarizability 21.629404 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05204221 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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