tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene

C15H20 — CID 556732

IUPACtetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
SMILESC1=CCC2C(C1)C1CC2C2CC=CCC21
InChIInChI=1S/C15H20/c1-2-6-11-10(5-1)14-9-15(11)13-8-4-3-7-12(13)14/h1-4,10-15H,5-9H2
InChIKeyYCYNGLPGCUJXJG-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.80
Rot. Bonds

About tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene

tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene (PubChem CID 556732) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene.

Molecular Properties

Compound Nametetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
PubChem CID556732
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Nametetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene
SMILESC1=CCC2C(C1)C1CC2C2CC=CCC21
InChIInChI=1S/C15H20/c1-2-6-11-10(5-1)14-9-15(11)13-8-4-3-7-12(13)14/h1-4,10-15H,5-9H2
InChIKeyYCYNGLPGCUJXJG-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.80
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 tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
The IUPAC name of tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene (CID 556732) is tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene.
What is the SMILES notation for tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
The canonical SMILES for tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene is C1=CCC2C(C1)C1CC2C2CC=CCC21.
What is the InChIKey of tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
The InChIKey is YCYNGLPGCUJXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-6-11-10(5-1)14-9-15(11)13-8-4-3-7-12(13)14/h1-4,10-15H,5-9H2.
What are the key properties of tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene?
tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene has a molecular weight of 200.32 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.1.02,7.09,14]pentadeca-4,11-diene is sourced from PubChem (CID 556732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).