methyl 4-hydroxy-4-methoxyadamantane-1-carboxylate

methyl 4-hydroxy-4-methoxyadamantane-1-carboxylate

CAS: 1881293-10-2

Formula: C13H20O4

SMILES: COC(=O)C12CC3CC(C1)C(O)(OC)C(C3)C2

IUPAC: methyl 4-hydroxy-4-methoxyadamantane-1-carboxylate

InChI: InChI=1/C13H20O4/c1-16-11(14)12-5-8-3-9(6-12)13(15,17-2)10(4-8)7-12/h8-10,15H,3-7H2,1-2H3

Composition: C (64.98%), H (8.39%), O (26.63%)

Molar Mass: 240.299

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	240.136159124
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YRQKBDYSRQPLPA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61
Topological Polar Surface Area	55.76
Polarizability	24.61
Ring Count	3
Rotatable Bond Count	3

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