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CID 21512609

PubChem CID
21512609
Structure
CID 21512609_small.png
Molecular Formula
Status
Non-live
Molecular Weight
212.41 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 21512609.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-4,4-dipropyloctane

2.1.2 InChI

InChI=1S/C15H32/c1-6-10-14(5)15(11-7-2,12-8-3)13-9-4/h14H,6-13H2,1-5H3

2.1.3 InChIKey

AXIXYZJGCNRXAQ-UHFFFAOYSA-N

2.1.4 SMILES

CCCC(C)C(CCC)(CCC)CCC

2.2 Molecular Formula

C15H32

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
212.41 g/mol
Property Name
XLogP3-AA
Property Value
7.6
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
212.250401021 g/mol
Property Name
Monoisotopic Mass
Property Value
212.250401021 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
120
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS