2-(3-ethenoxypropyl)oxane

C10H18O2 — CID 156762693

IUPAC2-(3-ethenoxypropyl)oxane
SMILESC=COCCCC1CCCCO1
InChIInChI=1S/C10H18O2/c1-2-11-8-5-7-10-6-3-4-9-12-10/h2,10H,1,3-9H2
InChIKeyLFRMWLKEFUECJZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-ethenoxypropyl)oxane

2-(3-ethenoxypropyl)oxane (PubChem CID 156762693) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)oxane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)oxane
PubChem CID156762693
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3-ethenoxypropyl)oxane
SMILESC=COCCCC1CCCCO1
InChIInChI=1S/C10H18O2/c1-2-11-8-5-7-10-6-3-4-9-12-10/h2,10H,1,3-9H2
InChIKeyLFRMWLKEFUECJZ-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
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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Related Compounds

Ethenoxycyclododecane
CID 22467885
2-(3-Methoxypropyl)oxane
CID 23386511
2-(5-Ethenoxypentyl)oxetane
CID 67436485
1,4,7-Tris(ethenoxy)heptane
CID 88253973
5,8-Bis(ethenoxy)dodecane
CID 89147987
1,4-Bis(ethenoxy)heptane
CID 89148003
1,4,7-Tris(ethenoxy)cyclopentadecane
CID 90268020
1,7-Bis(ethenoxy)decane
CID 139909504
2-(2-Ethenoxyethyl)oxane
CID 156762667
2-(4-Ethenoxybutyl)oxane
CID 156762670
(6R)-2-methyl-6-(3-propan-2-yloxypropyl)oxane
CID 163509555
2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603217

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)oxane?
The IUPAC name of 2-(3-ethenoxypropyl)oxane (CID 156762693) is 2-(3-ethenoxypropyl)oxane.
What is the SMILES notation for 2-(3-ethenoxypropyl)oxane?
The canonical SMILES for 2-(3-ethenoxypropyl)oxane is C=COCCCC1CCCCO1.
What is the InChIKey of 2-(3-ethenoxypropyl)oxane?
The InChIKey is LFRMWLKEFUECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-11-8-5-7-10-6-3-4-9-12-10/h2,10H,1,3-9H2.
What are the key properties of 2-(3-ethenoxypropyl)oxane?
2-(3-ethenoxypropyl)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)oxane is sourced from PubChem (CID 156762693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).