7-pentan-3-ylidenebicyclo[4.1.0]heptane

C12H20 — CID 15447882

IUPAC7-pentan-3-ylidenebicyclo[4.1.0]heptane
SMILESCCC(CC)=C1C2CCCCC12
InChIInChI=1S/C12H20/c1-3-9(4-2)12-10-7-5-6-8-11(10)12/h10-11H,3-8H2,1-2H3
InChIKeyICIGZHFNUHAIFI-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds2

About 7-pentan-3-ylidenebicyclo[4.1.0]heptane

7-pentan-3-ylidenebicyclo[4.1.0]heptane (PubChem CID 15447882) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 7-pentan-3-ylidenebicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-pentan-3-ylidenebicyclo[4.1.0]heptane
PubChem CID15447882
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name7-pentan-3-ylidenebicyclo[4.1.0]heptane
SMILESCCC(CC)=C1C2CCCCC12
InChIInChI=1S/C12H20/c1-3-9(4-2)12-10-7-5-6-8-11(10)12/h10-11H,3-8H2,1-2H3
InChIKeyICIGZHFNUHAIFI-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
7-(1-Methylethylidene)bicyclo(4.1.0)heptane
CID 40707
7-Propylidene-bicyclo[4.1.0]heptane
CID 556456
Bicyclo(4.1.0)heptane, 7-(2-methyl-1-propenylidene)-
CID 138290
Bwhtyiqorhhvcd-uhfffaoysa-
CID 14974781
Cyclohexane, (2-ethyl-1-methyl-1-butenyl)-
CID 534697
7-Octylidenebicyclo(4.1.0)heptane
CID 584950
Cyclohexane, 1-methyl-2-(1-methylethylidene)-
CID 519172
7-Cyclohexylidenebicyclo[4.1.0]heptane
CID 12537062
7-(2-Methylprop-2-en-1-ylidene)bicyclo[4.1.0]heptane
CID 12624943
3,4-Dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895

Frequently Asked Questions

What is the IUPAC name of 7-pentan-3-ylidenebicyclo[4.1.0]heptane?
The IUPAC name of 7-pentan-3-ylidenebicyclo[4.1.0]heptane (CID 15447882) is 7-pentan-3-ylidenebicyclo[4.1.0]heptane.
What is the SMILES notation for 7-pentan-3-ylidenebicyclo[4.1.0]heptane?
The canonical SMILES for 7-pentan-3-ylidenebicyclo[4.1.0]heptane is CCC(CC)=C1C2CCCCC12.
What is the InChIKey of 7-pentan-3-ylidenebicyclo[4.1.0]heptane?
The InChIKey is ICIGZHFNUHAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-9(4-2)12-10-7-5-6-8-11(10)12/h10-11H,3-8H2,1-2H3.
What are the key properties of 7-pentan-3-ylidenebicyclo[4.1.0]heptane?
7-pentan-3-ylidenebicyclo[4.1.0]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentan-3-ylidenebicyclo[4.1.0]heptane is sourced from PubChem (CID 15447882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).