α,α'-Diethyl-4,4'-dihydroxy-hydrobenzoin 4,4'-Diacetate - CAS 113136-37-1

Name: α,α'-Diethyl-4,4'-dihydroxy-hydrobenzoin 4,4'-Diacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB067865
Product Name:	α,α'-Diethyl-4,4'-dihydroxy-hydrobenzoin 4,4'-Diacetate
CAS:	113136-37-1
Synonyms:	alpha,alpha'-Diethyl-4,4'-dihydroxy-hydrobenzoin 4,4'-Diacetate; [4-[4-(4-acetyloxyphenyl)-3,4-dihydroxyhexan-3-yl]phenyl] acetate

Technical Data

IUPAC Name:	[4-[4-(4-acetyloxyphenyl)-3,4-dihydroxyhexan-3-yl]phenyl] acetate
Description:	Intermediate in the preparation of Z,Z-Dienestrol (D441815).
Molecular Weight:	386.44
Molecular Formula:	C22H26O6
Canonical SMILES:	CCC(C1=CC=C(C=C1)OC(=O)C)(C(CC)(C2=CC=C(C=C2)OC(=O)C)O)O
InChI:	InChI=1S/C22H26O6/c1-5-21(25,17-7-11-19(12-8-17)27-15(3)23)22(26,6-2)18-9-13-20(14-10-18)28-16(4)24/h7-14,25-26H,5-6H2,1-4H3
InChI Key:	CULPQTSAZXYMSL-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance:	White Opaque Semi-solid

Complexity:	485
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	386.17293854
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	386.17293854
Rotatable Bond Count:	9
Topological Polar Surface Area:	93.1Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9