2-ethylidene-3-methylbicyclo[6.1.0]nonane

C12H20 — CID 123959813

IUPAC2-ethylidene-3-methylbicyclo[6.1.0]nonane
SMILESCC=C1C(C)CCCCC2CC12
InChIInChI=1S/C12H20/c1-3-11-9(2)6-4-5-7-10-8-12(10)11/h3,9-10,12H,4-8H2,1-2H3
InChIKeyVGKSJYUTQWZHQG-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds

About 2-ethylidene-3-methylbicyclo[6.1.0]nonane

2-ethylidene-3-methylbicyclo[6.1.0]nonane (PubChem CID 123959813) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-ethylidene-3-methylbicyclo[6.1.0]nonane.

Molecular Properties

Compound Name2-ethylidene-3-methylbicyclo[6.1.0]nonane
PubChem CID123959813
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-ethylidene-3-methylbicyclo[6.1.0]nonane
SMILESCC=C1C(C)CCCCC2CC12
InChIInChI=1S/C12H20/c1-3-11-9(2)6-4-5-7-10-8-12(10)11/h3,9-10,12H,4-8H2,1-2H3
InChIKeyVGKSJYUTQWZHQG-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
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 2-ethylidene-3-methylbicyclo[6.1.0]nonane?
The IUPAC name of 2-ethylidene-3-methylbicyclo[6.1.0]nonane (CID 123959813) is 2-ethylidene-3-methylbicyclo[6.1.0]nonane.
What is the SMILES notation for 2-ethylidene-3-methylbicyclo[6.1.0]nonane?
The canonical SMILES for 2-ethylidene-3-methylbicyclo[6.1.0]nonane is CC=C1C(C)CCCCC2CC12.
What is the InChIKey of 2-ethylidene-3-methylbicyclo[6.1.0]nonane?
The InChIKey is VGKSJYUTQWZHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-11-9(2)6-4-5-7-10-8-12(10)11/h3,9-10,12H,4-8H2,1-2H3.
What are the key properties of 2-ethylidene-3-methylbicyclo[6.1.0]nonane?
2-ethylidene-3-methylbicyclo[6.1.0]nonane has a molecular weight of 164.29 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-methylbicyclo[6.1.0]nonane is sourced from PubChem (CID 123959813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).