4-(1-ethenoxyethyl)oxocane

C11H20O2 — CID 176605209

IUPAC4-(1-ethenoxyethyl)oxocane
SMILESC=COC(C)C1CCCCOCC1
InChIInChI=1S/C11H20O2/c1-3-13-10(2)11-6-4-5-8-12-9-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyAPUKDDLXZDSTHJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About 4-(1-ethenoxyethyl)oxocane

4-(1-ethenoxyethyl)oxocane (PubChem CID 176605209) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(1-ethenoxyethyl)oxocane.

Molecular Properties

Compound Name4-(1-ethenoxyethyl)oxocane
PubChem CID176605209
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(1-ethenoxyethyl)oxocane
SMILESC=COC(C)C1CCCCOCC1
InChIInChI=1S/C11H20O2/c1-3-13-10(2)11-6-4-5-8-12-9-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyAPUKDDLXZDSTHJ-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Ethenoxymethyl)-3-methoxycyclohexane
CID 89007644
1-(Ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
CID 134255360
3-(4-Ethenoxybutoxymethyl)heptane
CID 139971607
3-(1-Ethenoxyethyl)oxepane
CID 176603260
4-[1-(2-Methylprop-1-enoxy)ethyl]oxocane
CID 176603572
2-(3-Ethenoxypropyl)-2-ethyloxocane
CID 176604091
3-(2-Ethenoxyethyl)oxocane
CID 176604588
4-(1-Ethoxypropa-1,2-dienyl)oxocane
CID 163222819

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenoxyethyl)oxocane?
The IUPAC name of 4-(1-ethenoxyethyl)oxocane (CID 176605209) is 4-(1-ethenoxyethyl)oxocane.
What is the SMILES notation for 4-(1-ethenoxyethyl)oxocane?
The canonical SMILES for 4-(1-ethenoxyethyl)oxocane is C=COC(C)C1CCCCOCC1.
What is the InChIKey of 4-(1-ethenoxyethyl)oxocane?
The InChIKey is APUKDDLXZDSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-13-10(2)11-6-4-5-8-12-9-7-11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 4-(1-ethenoxyethyl)oxocane?
4-(1-ethenoxyethyl)oxocane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethenoxyethyl)oxocane is sourced from PubChem (CID 176605209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).