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5,9,13-trimethyl-14-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadecane-5-carboxylic acid

5,9,13-trimethyl-14-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadecane-5-carboxylic acid

CAS: 27975-19-5

Formula: C20H30O3

SMILES: CC12CC3(CC1=O)CCC1C(C)(CCCC1(C)C(O)=O)C3CC2

IUPAC: 5,9,13-trimethyl-14-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadecane-5-carboxylic acid

InChI: InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)

Composition: C (75.43%), H (9.50%), O (15.07%)

Molar Mass: 318.457

Atom Count: 53

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 318.219494826
Formal Charge 0
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KFVUFODCZDRVSS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.21
Topological Polar Surface Area 54.37
Polarizability 35.24
Ring Count 4
Rotatable Bond Count 1

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