Tìm theo
Cyclohexanone
Thuốc Gốc
Small Molecule
CAS: 108-94-1
CTHH: C6H10O
PTK: 98.143
Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group. It is a colorless, oily liquid with an acetone-like smell.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H10O
Phân tử khối
98.143
Monoisotopic mass
98.073164942
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChI Key
InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N
IUPAC Name
cyclohexanone
Traditional IUPAC Name
cyclohexanone
SMILES
O=C1CCCCC1
Độ tan chảy
-31 °C
Độ sôi
155.4 °C
Độ hòa tan
2.5E+004 mg/L (at 25 °C)
logP
0.81
logS
-0.6
pKa (Strongest Basic)
-7.3
PSA
17.07 Å2
Refractivity
28.25 m3·mol-1
Polarizability
11.15 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
1
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
11.3
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02060
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505038
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00414
ChemSpider
http://www.chemspider.com/Chemical-Structure.7679.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=6
Wikipedia
http://en.wikipedia.org/wiki/Cyclohexanone
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