3-ethylpentan-2-ylidenecyclohexane

C13H24 — CID 565721

IUPAC3-ethylpentan-2-ylidenecyclohexane
SMILESCCC(CC)C(C)=C1CCCCC1
InChIInChI=1S/C13H24/c1-4-12(5-2)11(3)13-9-7-6-8-10-13/h12H,4-10H2,1-3H3
InChIKeyGQKRSVUSXBAUND-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds3

About 3-ethylpentan-2-ylidenecyclohexane

3-ethylpentan-2-ylidenecyclohexane (PubChem CID 565721) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-ethylpentan-2-ylidenecyclohexane.

Molecular Properties

Compound Name3-ethylpentan-2-ylidenecyclohexane
PubChem CID565721
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3-ethylpentan-2-ylidenecyclohexane
SMILESCCC(CC)C(C)=C1CCCCC1
InChIInChI=1S/C13H24/c1-4-12(5-2)11(3)13-9-7-6-8-10-13/h12H,4-10H2,1-3H3
InChIKeyGQKRSVUSXBAUND-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
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 3-ethylpentan-2-ylidenecyclohexane?
The IUPAC name of 3-ethylpentan-2-ylidenecyclohexane (CID 565721) is 3-ethylpentan-2-ylidenecyclohexane.
What is the SMILES notation for 3-ethylpentan-2-ylidenecyclohexane?
The canonical SMILES for 3-ethylpentan-2-ylidenecyclohexane is CCC(CC)C(C)=C1CCCCC1.
What is the InChIKey of 3-ethylpentan-2-ylidenecyclohexane?
The InChIKey is GQKRSVUSXBAUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-12(5-2)11(3)13-9-7-6-8-10-13/h12H,4-10H2,1-3H3.
What are the key properties of 3-ethylpentan-2-ylidenecyclohexane?
3-ethylpentan-2-ylidenecyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-2-ylidenecyclohexane is sourced from PubChem (CID 565721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).