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CID 148309431

PubChem CID
148309431
Structure
CID 148309431_small.png
Molecular Formula
Status
Non-live
Molecular Weight
148.24 g/mol
Dates
  • Create:
    2020-08-12

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 148309431.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1-ethenylcyclopentyl)bicyclo[1.1.0]butane

2.1.2 InChI

InChI=1S/C11H16/c1-2-11(5-3-4-6-11)10-8-7-9(8)10/h2,8-10H,1,3-7H2

2.1.3 InChIKey

LATIKULGSDILPN-UHFFFAOYSA-N

2.1.4 SMILES

C=CC1(CCCC1)C2C3C2C3

2.2 Molecular Formula

C11H16

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
148.24 g/mol
Property Name
XLogP3-AA
Property Value
3.9
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
2
Property Name
Exact Mass
Property Value
148.125200510 g/mol
Property Name
Monoisotopic Mass
Property Value
148.125200510 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
190
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
2
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