2-ethyl-1,5-dimethyl-6-propylidenecyclodecane

C17H32 — CID 123384032

IUPAC2-ethyl-1,5-dimethyl-6-propylidenecyclodecane
SMILESCCC=C1CCCCC(C)C(CC)CCC1C
InChIInChI=1S/C17H32/c1-5-9-17-11-8-7-10-14(3)16(6-2)13-12-15(17)4/h9,14-16H,5-8,10-13H2,1-4H3
InChIKeyNJDQJAQAOXSPLI-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.98
Rot. Bonds2

About 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane

2-ethyl-1,5-dimethyl-6-propylidenecyclodecane (PubChem CID 123384032) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane.

Molecular Properties

Compound Name2-ethyl-1,5-dimethyl-6-propylidenecyclodecane
PubChem CID123384032
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2-ethyl-1,5-dimethyl-6-propylidenecyclodecane
SMILESCCC=C1CCCCC(C)C(CC)CCC1C
InChIInChI=1S/C17H32/c1-5-9-17-11-8-7-10-14(3)16(6-2)13-12-15(17)4/h9,14-16H,5-8,10-13H2,1-4H3
InChIKeyNJDQJAQAOXSPLI-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane 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 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane?
The IUPAC name of 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane (CID 123384032) is 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane.
What is the SMILES notation for 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane?
The canonical SMILES for 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane is CCC=C1CCCCC(C)C(CC)CCC1C.
What is the InChIKey of 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane?
The InChIKey is NJDQJAQAOXSPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-5-9-17-11-8-7-10-14(3)16(6-2)13-12-15(17)4/h9,14-16H,5-8,10-13H2,1-4H3.
What are the key properties of 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane?
2-ethyl-1,5-dimethyl-6-propylidenecyclodecane has a molecular weight of 236.44 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5-dimethyl-6-propylidenecyclodecane is sourced from PubChem (CID 123384032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).