4-tert-Octylresorcinol

CAT: 0024-sc-488197Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-488197Size:25 g

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CAS Number

28122-52-3

Chemical Information

4-tert-Octylresorcinol

CAS Number	28122-52-3
PubChem CID	220749
IUPAC Name	4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol
Molecular Formula	C14H22O2
Molecular Weight	222.32
XLogP	4.6
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	227

SMILES

CC(C)(C)CC(C)(C)C1=C(C=C(C=C1)O)O

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-14(4,5)11-7-6-10(15)8-12(11)16/h6-8,15-16H,9H2,1-5H3

InChIKey

YQOJNENEFSZINP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28122-52-3

CID: 220749

Formula: C14H22O2

MW: 222.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.32
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	222.161979940
Monoisotopic Mass	222.161979940
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-238961	4-tert-Butylpyridine
sc-267749	4-tert-Butylbenzamidoxime
sc-317092	4-tert-Butylcyclohexanecarbohydrazide
sc-262165	4-tert-Butylbenzophenone
sc-238962	4-tert-Butyltoluene
sc-317091	4-tert-Butylcyclohexanamine
sc-233128	4'-tert-Butylacetophenone
sc-214277	4-tert-Butylphthalonitrile
sc-232991	4-tert-Butylbenzaldehyde
sc-238957	4-tert-Butylaniline

Catalog	Name
O02210-01	P-tert-Octylresorcinol
FB35173-01	4-tert-Butylaniline
FB44572-01	4-tert-Butylphenol
FB11129-01	4-tert-Butylpyridine
KHA25936-01	4-tert-Butoxybenzonitrile
TRC-B810793-2.5G	4-tert-Butylcatechol
TRC-O293780-10G	4-tert-Octylphenol
TRC-B540680-10G	4-tert-Butylphenethanol
TRC-A636590-10G	4-tert-Amylphenol
TRC-B690735-100G	4-tert-Butylbenzenesulfonamide