2,8-Dichlorooct-1-ene

CAT: 0127-OR2944Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

485320-13-6

MDL Number

MFCD00671830

Smiles

ClCCCCCCC (=C) Cl

Chemical Information

2,8-Dichloro-1-octene

CAS Number	485320-13-6
PubChem CID	24721688
IUPAC Name	2,8-dichlorooct-1-ene
Molecular Formula	C8H14Cl2
Molecular Weight	181.10
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	89

SMILES

C=C(CCCCCCCl)Cl

InChI

InChI=1S/C8H14Cl2/c1-8(10)6-4-2-3-5-7-9/h1-7H2

InChIKey

USNACSJJNIPRRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 485320-13-6

CID: 24721688

Formula: C8H14Cl2

MW: 181.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.10
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	180.0472558
Monoisotopic Mass	180.0472558
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	89.3
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

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C18510-01	2-Chloroprop-1-ene
CJC53751-01	2- (Azidomethyl) but-1-ene
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TRC-B495433-1G	Bis(8-methylnonyl) Cyclohex-4-ene-1,2-dicarboxylate
JCA03245-01	2- (Bromomethyl) but-1-ene