(2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene

C15H20 — CID 101066408

IUPAC(2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene
SMILESCC1(C)C2C=CC=CC1/C=C\CC/C=C\2
InChIInChI=1S/C15H20/c1-15(2)13-9-5-3-4-6-10-14(15)12-8-7-11-13/h5-14H,3-4H2,1-2H3/b9-5-,10-6-
InChIKeyVIJPDGPCUHPVRI-OZDSWYPASA-N
MW200.32 g/mol
LogP4.28
Rot. Bonds

About (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene

(2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene (PubChem CID 101066408) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene.

Molecular Properties

Compound Name(2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene
PubChem CID101066408
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name(2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene
SMILESCC1(C)C2C=CC=CC1/C=C\CC/C=C\2
InChIInChI=1S/C15H20/c1-15(2)13-9-5-3-4-6-10-14(15)12-8-7-11-13/h5-14H,3-4H2,1-2H3/b9-5-,10-6-
InChIKeyVIJPDGPCUHPVRI-OZDSWYPASA-N
XLogP4.28
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 ≤ 54.28
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 (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene?
The IUPAC name of (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene (CID 101066408) is (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene.
What is the SMILES notation for (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene?
The canonical SMILES for (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene is CC1(C)C2C=CC=CC1/C=C\CC/C=C\2.
What is the InChIKey of (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene?
The InChIKey is VIJPDGPCUHPVRI-OZDSWYPASA-N. The full InChI is InChI=1S/C15H20/c1-15(2)13-9-5-3-4-6-10-14(15)12-8-7-11-13/h5-14H,3-4H2,1-2H3/b9-5-,10-6-.
What are the key properties of (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene?
(2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene has a molecular weight of 200.32 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-13,13-dimethylbicyclo[6.4.1]trideca-2,6,9,11-tetraene is sourced from PubChem (CID 101066408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).