3-(2-ethenoxyethyl)oxocane

C11H20O2 — CID 176604588

IUPAC3-(2-ethenoxyethyl)oxocane
SMILESC=COCCC1CCCCCOC1
InChIInChI=1S/C11H20O2/c1-2-12-9-7-11-6-4-3-5-8-13-10-11/h2,11H,1,3-10H2
InChIKeySCPTYISRRPFNMJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

About 3-(2-ethenoxyethyl)oxocane

3-(2-ethenoxyethyl)oxocane (PubChem CID 176604588) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)oxocane.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)oxocane
PubChem CID176604588
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(2-ethenoxyethyl)oxocane
SMILESC=COCCC1CCCCCOC1
InChIInChI=1S/C11H20O2/c1-2-12-9-7-11-6-4-3-5-8-13-10-11/h2,11H,1,3-10H2
InChIKeySCPTYISRRPFNMJ-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)oxocane?
The IUPAC name of 3-(2-ethenoxyethyl)oxocane (CID 176604588) is 3-(2-ethenoxyethyl)oxocane.
What is the SMILES notation for 3-(2-ethenoxyethyl)oxocane?
The canonical SMILES for 3-(2-ethenoxyethyl)oxocane is C=COCCC1CCCCCOC1.
What is the InChIKey of 3-(2-ethenoxyethyl)oxocane?
The InChIKey is SCPTYISRRPFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-12-9-7-11-6-4-3-5-8-13-10-11/h2,11H,1,3-10H2.
What are the key properties of 3-(2-ethenoxyethyl)oxocane?
3-(2-ethenoxyethyl)oxocane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)oxocane is sourced from PubChem (CID 176604588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).