1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane

C12H18O — CID 142115926

IUPAC1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane
SMILESC=C=C(OCC)C1(C)CCC(=C)C1
InChIInChI=1S/C12H18O/c1-5-11(13-6-2)12(4)8-7-10(3)9-12/h1,3,6-9H2,2,4H3
InChIKeySCYAIQDETPEVRG-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.44
Rot. Bonds3

About 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane

1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane (PubChem CID 142115926) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane.

Molecular Properties

Compound Name1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane
PubChem CID142115926
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane
SMILESC=C=C(OCC)C1(C)CCC(=C)C1
InChIInChI=1S/C12H18O/c1-5-11(13-6-2)12(4)8-7-10(3)9-12/h1,3,6-9H2,2,4H3
InChIKeySCYAIQDETPEVRG-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane?
The IUPAC name of 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane (CID 142115926) is 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane.
What is the SMILES notation for 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane?
The canonical SMILES for 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane is C=C=C(OCC)C1(C)CCC(=C)C1.
What is the InChIKey of 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane?
The InChIKey is SCYAIQDETPEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-11(13-6-2)12(4)8-7-10(3)9-12/h1,3,6-9H2,2,4H3.
What are the key properties of 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane?
1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane has a molecular weight of 178.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane is sourced from PubChem (CID 142115926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).