tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene

C12H14 — CID 142046940

IUPACtetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene
SMILESC1=CC2C(CC1)C1CC13C=CC23
InChIInChI=1S/C12H14/c1-2-4-9-8(3-1)10-5-6-12(10)7-11(9)12/h1,3,5-6,8-11H,2,4,7H2
InChIKeyUPDKALGYXATDGK-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.77
Rot. Bonds

About tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene

tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene (PubChem CID 142046940) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene.

Molecular Properties

Compound Nametetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene
PubChem CID142046940
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nametetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene
SMILESC1=CC2C(CC1)C1CC13C=CC23
InChIInChI=1S/C12H14/c1-2-4-9-8(3-1)10-5-6-12(10)7-11(9)12/h1,3,5-6,8-11H,2,4,7H2
InChIKeyUPDKALGYXATDGK-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.77
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[6.4.0.02,4.04,7]dodeca-5,9-diene?
The IUPAC name of tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene (CID 142046940) is tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene.
What is the SMILES notation for tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene?
The canonical SMILES for tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene is C1=CC2C(CC1)C1CC13C=CC23.
What is the InChIKey of tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene?
The InChIKey is UPDKALGYXATDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-9-8(3-1)10-5-6-12(10)7-11(9)12/h1,3,5-6,8-11H,2,4,7H2.
What are the key properties of tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene?
tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene has a molecular weight of 158.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene is sourced from PubChem (CID 142046940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).