(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane

C11H18 — CID 173027480

IUPAC(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane
SMILESC/C=C1/CC2(C)CC1C2(C)C
InChIInChI=1S/C11H18/c1-5-8-6-11(4)7-9(8)10(11,2)3/h5,9H,6-7H2,1-4H3/b8-5-
InChIKeyVDGDGTOWPLZUFH-YVMONPNESA-N
MW150.27 g/mol
LogP3.39
Rot. Bonds

About (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane

(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane (PubChem CID 173027480) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane
PubChem CID173027480
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane
SMILESC/C=C1/CC2(C)CC1C2(C)C
InChIInChI=1S/C11H18/c1-5-8-6-11(4)7-9(8)10(11,2)3/h5,9H,6-7H2,1-4H3/b8-5-
InChIKeyVDGDGTOWPLZUFH-YVMONPNESA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane?
The IUPAC name of (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane (CID 173027480) is (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane.
What is the SMILES notation for (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane?
The canonical SMILES for (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane is C/C=C1/CC2(C)CC1C2(C)C.
What is the InChIKey of (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane?
The InChIKey is VDGDGTOWPLZUFH-YVMONPNESA-N. The full InChI is InChI=1S/C11H18/c1-5-8-6-11(4)7-9(8)10(11,2)3/h5,9H,6-7H2,1-4H3/b8-5-.
What are the key properties of (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane?
(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane has a molecular weight of 150.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane is sourced from PubChem (CID 173027480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).