1- (3-dodecoxyphenoxy) dodecane

CAT: 0127-OR1043175Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043175Size:1 g

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CAS Number

41662-92-4

Purity

97%

Smiles

CCCCCCCCCCCCOc1cccc(c1)OCCCCCCCCCCCC

Chemical Information

1,3-Bis(dodecyloxy)benzene

CAS Number	41662-92-4
PubChem CID	287501
IUPAC Name	1,3-didodecoxybenzene
Molecular Formula	C30H54O2
Molecular Weight	446.7
XLogP	13
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	24
Heavy Atom Count	32
Formal Charge	0
Complexity	325

SMILES

CCCCCCCCCCCCOC1=CC(=CC=C1)OCCCCCCCCCCCC

InChI

InChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-17-19-21-26-31-29-24-23-25-30(28-29)32-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28H,3-22,26-27H2,1-2H3

InChIKey

JYTIZSQDKOCWQI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41662-92-4

CID: 287501

Formula: C30H54O2

MW: 446.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	446.7
XLogP3	13
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	24
Exact Mass	446.412380961
Monoisotopic Mass	446.412380961
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	325
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
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Catalog	Name
GT HW 2631-01	Tetraethyl dodecane-3,3,8,8-tetracarboxylate
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EAA43219-01	3-Oxaspiro[5.6]dodecane-2,4-dione
BAA07889-01	3-Azaspiro[5.6]dodecane-2,4-dione
KQD93688-01	3,10-Dioxa-7-azaspiro[5.6]dodecane
XWC41798-01	3,7-Dioxa-10-azaspiro[5.6]dodecane
AQ TC 1203-01	Tricyclo[4.3.3.01,6]dodecane-8,11-diol
AQ TC 1202-01	Tricyclo[4.3.3.01,6]dodecane-8,11-dione
AAA71094-01	1,3-Diazaspiro[4.7]dodecane-2,4-dione
FPD80743-01	5-Oxa-11-azadispiro[3.1.3{6}.3{4}]dodecane hydrochloride