Name: Name:(Trans,trans)-4-pentylphenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
Brand: Angene
SKU: AG00G2XZ
Rating: 90 (10 reviews)

(Trans,trans)-4-pentylphenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS No.:

84078-44-4

Catalog Number:

AG00G2XZ

Molecular Formula:

C27H42O2

Molecular Weight:

398.6212

Catalog Number:

AG00G2XZ

Chemical Name:

(Trans,trans)-4-pentylphenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS Number:

84078-44-4

Molecular Formula:

C27H42O2

Molecular Weight:

398.6212

MDL Number:

MFCD12911568

IUPAC Name:

(4-pentylphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

InChI:

InChI=1S/C27H42O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,19-21,23-25H,3-10,13-18H2,1-2H3

InChI Key:

QDZHKLQGOIWETL-UHFFFAOYSA-N

SMILES:

CCCCCc1ccc(cc1)OC(=O)[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)CCC

EC Number:

617-528-8

Complexity:

449

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

398.318g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.631g/mol

Monoisotopic Mass:

398.318g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: