7-octylidenebicyclo[4.1.0]heptane

C15H26 — CID 584950

IUPAC7-octylidenebicyclo[4.1.0]heptane
SMILESCCCCCCCC=C1C2CCCCC12
InChIInChI=1S/C15H26/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-15(13)14/h10,14-15H,2-9,11-12H2,1H3
InChIKeyGVWLBCNKADCHEY-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.09
Rot. Bonds6

About 7-octylidenebicyclo[4.1.0]heptane

7-octylidenebicyclo[4.1.0]heptane (PubChem CID 584950) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 7-octylidenebicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-octylidenebicyclo[4.1.0]heptane
PubChem CID584950
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name7-octylidenebicyclo[4.1.0]heptane
SMILESCCCCCCCC=C1C2CCCCC12
InChIInChI=1S/C15H26/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-15(13)14/h10,14-15H,2-9,11-12H2,1H3
InChIKeyGVWLBCNKADCHEY-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-octylidenebicyclo[4.1.0]heptane?
The IUPAC name of 7-octylidenebicyclo[4.1.0]heptane (CID 584950) is 7-octylidenebicyclo[4.1.0]heptane.
What is the SMILES notation for 7-octylidenebicyclo[4.1.0]heptane?
The canonical SMILES for 7-octylidenebicyclo[4.1.0]heptane is CCCCCCCC=C1C2CCCCC12.
What is the InChIKey of 7-octylidenebicyclo[4.1.0]heptane?
The InChIKey is GVWLBCNKADCHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-15(13)14/h10,14-15H,2-9,11-12H2,1H3.
What are the key properties of 7-octylidenebicyclo[4.1.0]heptane?
7-octylidenebicyclo[4.1.0]heptane has a molecular weight of 206.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-octylidenebicyclo[4.1.0]heptane is sourced from PubChem (CID 584950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).