3,9-Dodecadiyne

CAT: 0024-sc-232164Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232164Size:5 g

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CAS Number

61827-89-2

Chemical Information

3,9-Dodecadiyne

CAS Number	61827-89-2
PubChem CID	143841
IUPAC Name	dodeca-3,9-diyne
Molecular Formula	C12H18
Molecular Weight	162.27
XLogP	4.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	183

SMILES

CCC#CCCCCC#CCC

InChI

InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3

InChIKey

SLQXYOMUNKJHRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61827-89-2

CID: 143841

Formula: C12H18

MW: 162.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.27
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	162.140850574
Monoisotopic Mass	162.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183
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-265919	2,10-Dodecadiyne
sc-268163	5,7-Dodecadiyne-1,12-diol
sc-365942	Complexin-3 (A-9)
sc-374559	Aspartoacylase-3 (A-9)
sc-289363	(+) -3,9-Dibromocamphor
sc-335884	3,9-Dibromobenzanthrone
sc-351658A	9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
sc-351658	9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
sc-351660	9-benzyl-9-azabicyclo[3.3.1]nonan-3-one
sc-351660A	9-benzyl-9-azabicyclo[3.3.1]nonan-3-one

Catalog	Name
OR95475	3,9-Dodecadiyne
D55739	3 9-Dodecadiyne
D55738	2,10-Dodecadiyne
OR1061853-01	9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
OR1012135-01	9,9’-Diphenyl-9H,9’H-3,3’-Bicarbazole
OR1012134-01	9,9’-Diethyl-9H,9’H-3,3’-Bicarbazole
JH914141	9- (3-bromophenyl) -9'-phenyl-9H,9'H-3,3'-bicarbazole
OR1027712-01	9'H-9,3':6',9''-Tercarbazole
JH920188	3,3'-dibromo-9,9'-spirobi[fluorene]
OR92234-01	9'-Phenyl-9'H-9,3':6',9''-tercarbazole