2-[2-[(E)-prop-1-enoxy]ethyl]oxane

C10H18O2 — CID 176605307

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1CCCCO1
InChIInChI=1S/C10H18O2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyOPGAERPFBRBIDO-FARCUNLSSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-[(E)-prop-1-enoxy]ethyl]oxane

2-[2-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176605307) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176605307
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1CCCCO1
InChIInChI=1S/C10H18O2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyOPGAERPFBRBIDO-FARCUNLSSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Cyclododecane, (1-propenyloxy)-
CID 5374044
4-But-3-enoxy-2-pentyloxane
CID 101023617
2-[(E)-prop-1-enoxy]decane
CID 23217734
1,6-Bis(prop-1-enoxy)octane
CID 53934114
1,6-Bis(prop-1-enoxy)decane
CID 87891837
4-Prop-1-enoxyoxane
CID 90717252
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
2-Prop-1-enoxydecane
CID 150008525
4-(3-Prop-1-enoxypropyl)trioxane
CID 150733781
2-(2-Ethenoxyethyl)oxane
CID 156762667
2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176603037
4-[(E)-prop-1-enoxy]oxane
CID 176603182

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]oxane (CID 176605307) is 2-[2-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OCCC1CCCCO1.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is OPGAERPFBRBIDO-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
2-[2-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).