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8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-(²H?)methyl-2-methylbutanoate

8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-(²H?)methyl-2-methylbutanoate

CAS: 1002347-61-6

Formula: C25H38O5

SMILES: [2H]C([2H])([2H])C(C)(CC)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12

IUPAC: 8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-(²H?)methyl-2-methylbutanoate

InChI: InChI=1/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/i4D3

Composition: C (71.22%), H (8.37%), [2H] (1.43%), O (18.97%)

Molar Mass: 421.592

Atom Count: 68

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 421.290754561
Formal Charge 0
FSP3 0.76
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RYMZZMVNJRMUDD-GKOSEXJENA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.68
Topological Polar Surface Area 72.83
Polarizability 46.26
Ring Count 3
Rotatable Bond Count 7

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1002347-61-6 $119.08-$593.23$119.08$355.06$593.23
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1002347-61-6 $23.46-$238.68$23.46$89.76$238.68
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