4-[(1s,4r)-4-propylcyclohexyl]phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

4-[(1s,4r)-4-propylcyclohexyl]phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS: 88038-92-0

Formula: C31H48O2

SMILES: CCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC=C(C=C1)[C@H]1CC[C@H](CCC)CC1

IUPAC: 4-[(1s,4r)-4-propylcyclohexyl]phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

InChI: InChI=1/C31H48O2/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26/h19-27,29H,3-18H2,1-2H3/t23?,24-,25?,26-,27?,29?

Composition: C (82.24%), H (10.69%), O (7.07%)

Molar Mass: 452.723

Atom Count: 81

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	452.365430786
Formal Charge	0
FSP3	0.77
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OJUPRLOTNSQRBL-HZLPRIADNA-N
Lipinski's Rule of Five
Molar Refractivity	137.78
Topological Polar Surface Area	26.3
Polarizability	54.89
Ring Count	4
Rotatable Bond Count	9

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	88038-92-0		$30.26-$90.79$30.26$52.96$90.79