3,3-Dimethyl-1-pentene

CAT: 0572-TRC-D476815-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D476815-100MGSize:100 mg

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CAS Number

3404-73-7

Synonyms

NSC 74136;

Hazard Statement

Highly flammable liquid and vapour; UN number: UN3295; Packing Group: II

Smiles

CCC(C)(C)C=C

Molecular Formula

C7H14

Molecular Weight

98.19

Shipping Conditions

Ice Packs

Storage Conditions

+4°C

Chemical Information

3,3-Dimethylpent-1-ene

CAS Number	3404-73-7
PubChem CID	18852
IUPAC Name	3,3-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

CCC(C)(C)C=C

InChI

InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3

InChIKey

TXBZITDWMURSEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3404-73-7

CID: 18852

Formula: C7H14

MW: 98.19

Interactive 3D Structure

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View on PubChem Raw 3D data

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

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Alternative Products

Catalog	Name
426772-01	3,3-Dimethyl-1-pentene
HY-W540405	2,3-Dimethyl-1-pentene
D43350-01	2,3-Dimethyl-1-pentene 99%
OR1043714-01	2,3-Dimethyl-2-pentene
sc-486766	Cis-3,4-Dimethyl-2-pentene
sc-486767	Trans-3,4-Dimethyl-2-pentene
OR1078968-01	3-Methyl-1-pentene
558463	1-Pentene-3-one
sc-226062	3-Ethyl-1-pentene
sc-266088	2,4-Dimethyl-1-pentene

3,3-Dimethyl-1-pentene

Chemical Information

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