5-Bromo-2-methylhex-1-ene

CAT: 0926-EFC15736-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EFC15736-01Size:50 mg

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CAS Number

1379157-36-4

MDL Number

MFCD20545726

Smiles

CC (CCC (=C) C) Br

Molecular Formula

C7H13Br

Molecular Weight

177.08 g/mol

Controlled

Chemical Information

5-Bromo-2-methylhex-1-ene

CAS Number	1379157-36-4
PubChem CID	129913694
IUPAC Name	5-bromo-2-methylhex-1-ene
Molecular Formula	C7H13Br
Molecular Weight	177.08
XLogP	3.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

CC(CCC(=C)C)Br

InChI

InChI=1S/C7H13Br/c1-6(2)4-5-7(3)8/h7H,1,4-5H2,2-3H3

InChIKey

QZNJDFBOSGOGQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379157-36-4

CID: 129913694

Formula: C7H13Br

MW: 177.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.08
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	176.02006
Monoisotopic Mass	176.02006
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
REA91184-01	5-Chloro-5-methylhex-1-ene
RBA18250-01	5-bromo-2-methylpent-1-ene
GCA31252-01	5-Bromo-2,3-dimethylpent-2-ene
ZDA74775-01	1-Bromo-2-methylcyclohex-1-ene
KBA08734-01	Methyl 5-methylhex-2-ynoate
EAA86096	3-Bromo-2-chloroprop-1-ene
FB141959-01	4-Bromo-2-methylbut-1-ene
PDA08930-01	2-Bromo-3-methoxyprop-1-ene
WMB38711	2- (5-methylhex-2-enoylamino) benzamide
CAA55022-01	3-Methylhex-5-en-2-one