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N-Pentane 99%

CAT: 0063-90037203-01Size: 1 LDry Ice: NoHazardous: No
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CAS Number
109-66-0

Chemical Information

Pentane

Pentane is a straight chain alkane consisting of 5 carbon atoms. It has a role as a non-polar solvent and a refrigerant. It is a volatile organic compound and an alkane.

CAS Number109-66-0
PubChem CID8003
IUPAC Namepentane
Molecular FormulaC5H12
Molecular Weight72.15
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity7
SMILES
CCCCC
InChI
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey
OFBQJSOFQDEBGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentane
CAS: 109-66-0
CID: 8003
Formula: C5H12
MW: 72.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight72.15
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass72.093900383
Monoisotopic Mass72.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity7.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes