1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane

C14H20 — CID 12923868

IUPAC1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane
SMILESC=C1CCC2CC12C12CC1CCC2C
InChIInChI=1S/C14H20/c1-9-3-5-11-7-13(9,11)14-8-12(14)6-4-10(14)2/h10-12H,1,3-8H2,2H3
InChIKeySUQCNBXWUJLYGE-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.78
Rot. Bonds1

About 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane

1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane (PubChem CID 12923868) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane
PubChem CID12923868
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane
SMILESC=C1CCC2CC12C12CC1CCC2C
InChIInChI=1S/C14H20/c1-9-3-5-11-7-13(9,11)14-8-12(14)6-4-10(14)2/h10-12H,1,3-8H2,2H3
InChIKeySUQCNBXWUJLYGE-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane?
The IUPAC name of 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane (CID 12923868) is 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane?
The canonical SMILES for 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane is C=C1CCC2CC12C12CC1CCC2C.
What is the InChIKey of 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane?
The InChIKey is SUQCNBXWUJLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-9-3-5-11-7-13(9,11)14-8-12(14)6-4-10(14)2/h10-12H,1,3-8H2,2H3.
What are the key properties of 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane?
1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane has a molecular weight of 188.31 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-bicyclo[3.1.0]hexanyl)-2-methylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 12923868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).