(6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene

C13H20 — CID 170706254

IUPAC(6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene
SMILESC/C=C1/CCCCC2=CC1(C)C2C
InChIInChI=1S/C13H20/c1-4-12-8-6-5-7-11-9-13(12,3)10(11)2/h4,9-10H,5-8H2,1-3H3/b12-4-
InChIKeyIUCBFPYGOTUAKB-QCDXTXTGSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds

About (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene

(6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene (PubChem CID 170706254) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene.

Molecular Properties

Compound Name(6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene
PubChem CID170706254
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene
SMILESC/C=C1/CCCCC2=CC1(C)C2C
InChIInChI=1S/C13H20/c1-4-12-8-6-5-7-11-9-13(12,3)10(11)2/h4,9-10H,5-8H2,1-3H3/b12-4-
InChIKeyIUCBFPYGOTUAKB-QCDXTXTGSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
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 (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene?
The IUPAC name of (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene (CID 170706254) is (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene.
What is the SMILES notation for (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene?
The canonical SMILES for (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene is C/C=C1/CCCCC2=CC1(C)C2C.
What is the InChIKey of (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene?
The InChIKey is IUCBFPYGOTUAKB-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H20/c1-4-12-8-6-5-7-11-9-13(12,3)10(11)2/h4,9-10H,5-8H2,1-3H3/b12-4-.
What are the key properties of (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene?
(6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene has a molecular weight of 176.30 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-7,9-dimethylbicyclo[5.1.1]non-1(8)-ene is sourced from PubChem (CID 170706254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).