Isopentane

CAT: 1299-RG-I191528-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-I191528-02Size:25 mg

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CAS Number

78-78-4

Synonyms

Isopentane

Molecular Formula

C5H12

Molecular Weight

72.15

Product Name Synonym

Isopentane

Chemical Information

Isopentane

Isopentane is an alkane that is butane substituted by a methyl group at position 2. It has a role as a refrigerant.

CAS Number	78-78-4
PubChem CID	6556
IUPAC Name	2-methylbutane
Molecular Formula	C5H12
Molecular Weight	72.15
XLogP	2.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	14

SMILES

CCC(C)C

InChI

InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

InChIKey

QWTDNUCVQCZILF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78-78-4

CID: 6556

Formula: C5H12

MW: 72.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	72.15
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	72.093900383
Monoisotopic Mass	72.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	14
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