7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.2¹?,¹³.0¹,?.0?,¹?.0¹?,¹?]nonadecane-11,14-diol

7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.2¹?,¹³.0¹,?.0?,¹?.0¹?,¹?]nonadecane-11,14-diol

CAS: 1354-84-3

Formula: C22H33NO2

SMILES: CCN1CC2(C)CCCC34C1C(CC23)C12CCC(C(O)C41)C(=C)C2O

IUPAC: 7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.2¹?,¹³.0¹,?.0?,¹?.0¹?,¹?]nonadecane-11,14-diol

InChI: InChI=1/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3

Composition: C (76.92%), H (9.68%), N (4.08%), O (9.31%)

Molar Mass: 343.511

Atom Count: 58

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	10
Exact Mass	343.251129307
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OVXLNQAYPUEDSI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.1
Topological Polar Surface Area	43.7
Polarizability	39.4
Ring Count	6
Rotatable Bond Count	1

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