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14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.0²,¹¹.0³,?.0²?,²?]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.0²,¹¹.0³,?.0²?,²?]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

CAS: 944537-61-5

Formula: C32H34O2

SMILES: CCCC1CCC(CC1)C1COC2=C(C3=CC=CC=C3C=C2)C2=C(OC1)C=CC1=CC=CC=C21

IUPAC: 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.0²,¹¹.0³,?.0²?,²?]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

InChI: InChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3

Composition: C (85.29%), H (7.61%), O (7.10%)

Molar Mass: 450.622

Atom Count: 68

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 450.255880335
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PEDJXJZUJMTWBB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 139.23
Topological Polar Surface Area 18.46
Polarizability 58.61
Ring Count 6
Rotatable Bond Count 3

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