[(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane

C11H18O — CID 89162364

IUPAC[(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane
SMILESC=C/C(=C\C)OCC1CCCC1
InChIInChI=1S/C11H18O/c1-3-11(4-2)12-9-10-7-5-6-8-10/h3-4,10H,1,5-9H2,2H3/b11-4+
InChIKeyQMXMAXULNIEVDS-NYYWCZLTSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds4

About [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane

[(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane (PubChem CID 89162364) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane.

Molecular Properties

Compound Name[(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane
PubChem CID89162364
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name[(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane
SMILESC=C/C(=C\C)OCC1CCCC1
InChIInChI=1S/C11H18O/c1-3-11(4-2)12-9-10-7-5-6-8-10/h3-4,10H,1,5-9H2,2H3/b11-4+
InChIKeyQMXMAXULNIEVDS-NYYWCZLTSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane?
The IUPAC name of [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane (CID 89162364) is [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane.
What is the SMILES notation for [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane?
The canonical SMILES for [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane is C=C/C(=C\C)OCC1CCCC1.
What is the InChIKey of [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane?
The InChIKey is QMXMAXULNIEVDS-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H18O/c1-3-11(4-2)12-9-10-7-5-6-8-10/h3-4,10H,1,5-9H2,2H3/b11-4+.
What are the key properties of [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane?
[(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane has a molecular weight of 166.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-penta-1,3-dien-3-yl]oxymethylcyclopentane is sourced from PubChem (CID 89162364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).