3-ethyladamantane-1-carboxylic acid

3-ethyladamantane-1-carboxylic acid

CAS: 37845-05-9

Formula: C13H20O2

SMILES: CCC12CC3CC(C1)CC(C3)(C2)C(O)=O

IUPAC: 3-ethyladamantane-1-carboxylic acid

InChI: InChI=1/C13H20O2/c1-2-12-4-9-3-10(5-12)7-13(6-9,8-12)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)

Composition: C (74.96%), H (9.68%), O (15.36%)

Molar Mass: 208.301

Atom Count: 35

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	208.146329884
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZJBLNYRNJSFPQO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.46
Topological Polar Surface Area	37.3
Polarizability	23
Ring Count	3
Rotatable Bond Count	2

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