5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane

C11H18 — CID 72580180

IUPAC5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCC=C1CC2CC1C(C)C2C
InChIInChI=1S/C11H18/c1-4-9-5-10-6-11(9)8(3)7(10)2/h4,7-8,10-11H,5-6H2,1-3H3
InChIKeyDSZLOJJMQQDRDP-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.24
Rot. Bonds

About 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane

5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 72580180) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane
PubChem CID72580180
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCC=C1CC2CC1C(C)C2C
InChIInChI=1S/C11H18/c1-4-9-5-10-6-11(9)8(3)7(10)2/h4,7-8,10-11H,5-6H2,1-3H3
InChIKeyDSZLOJJMQQDRDP-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane (CID 72580180) is 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane is CC=C1CC2CC1C(C)C2C.
What is the InChIKey of 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is DSZLOJJMQQDRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-9-5-10-6-11(9)8(3)7(10)2/h4,7-8,10-11H,5-6H2,1-3H3.
What are the key properties of 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane?
5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 150.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-2,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 72580180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).