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1,3-bis(benzyloxy)propan-2-yl dodecanoate

1,3-bis(benzyloxy)propan-2-yl dodecanoate

CAS: 519177-07-2

Formula: C29H42O4

SMILES: CCCCCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COCC1=CC=CC=C1

IUPAC: 1,3-bis(benzyloxy)propan-2-yl dodecanoate

InChI: InChI=1S/C29H42O4/c1-2-3-4-5-6-7-8-9-16-21-29(30)33-28(24-31-22-26-17-12-10-13-18-26)25-32-23-27-19-14-11-15-20-27/h10-15,17-20,28H,2-9,16,21-25H2,1H3

Composition: C (76.61%), H (9.31%), O (14.08%)

Molar Mass: 454.651

Atom Count: 75

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 454.308309832
Formal Charge 0
FSP3 0.55
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HMRAWECRZFFMJY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 134.43
Topological Polar Surface Area 44.76
Polarizability 53.39
Ring Count 2
Rotatable Bond Count 20

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