1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
Thuốc Gốc
Small Molecule
CTHH: C15H24
PTK: 204.3511
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H24
Phân tử khối
204.3511
Monoisotopic mass
204.187800768
InChI
InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChI Key
InChIKey=KUEVAPFABUUVHS-AYCKBHPDSA-N
IUPAC Name
1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohex-1-ene
Traditional IUPAC Name
1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohex-1-ene
SMILES
C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
Độ hòa tan
2.67e-02 g/l
logP
4.68
logS
-3.9
Refractivity
71.23 m3·mol-1
Polarizability
26.78 Å3
Polar Surface Area (PSA)
0
Rotatable Bond Count
2
H Bond Acceptor Count
0
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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