2,4-Dimethyl-1-pentene

CAT: 0127-OR1044160Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1044160Size:5 mL

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CAS Number

2213-32-3

Synonyms

2,4-dimethylpent-1-ene

MDL Number

MFCD00039854

Purity

98%

Smiles

C=C(C)CC(C)C

Chemical Information

2,4-Dimethylpent-1-ene

CAS Number	2213-32-3
PubChem CID	16657
IUPAC Name	2,4-dimethylpent-1-ene
Molecular Formula	C7H14
Molecular Weight	98.19
XLogP	3.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	60

SMILES

CC(C)CC(=C)C

InChI

InChI=1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3

InChIKey

LXQPBCHJNIOMQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2213-32-3

CID: 16657

Formula: C7H14

MW: 98.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.19
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	98.109550447
Monoisotopic Mass	98.109550447
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	60.4
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