3-[3-[(E)-prop-1-enoxy]propyl]oxolane

C10H18O2 — CID 176605243

IUPAC3-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1CCOC1
InChIInChI=1S/C10H18O2/c1-2-6-11-7-3-4-10-5-8-12-9-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyYQAIWSAQTDNRAJ-QHHAFSJGSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 3-[3-[(E)-prop-1-enoxy]propyl]oxolane

3-[3-[(E)-prop-1-enoxy]propyl]oxolane (PubChem CID 176605243) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[3-[(E)-prop-1-enoxy]propyl]oxolane.

Molecular Properties

Compound Name3-[3-[(E)-prop-1-enoxy]propyl]oxolane
PubChem CID176605243
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1CCOC1
InChIInChI=1S/C10H18O2/c1-2-6-11-7-3-4-10-5-8-12-9-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyYQAIWSAQTDNRAJ-QHHAFSJGSA-N
XLogP2.35
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 ≤ 52.35
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

1,3-Bis(prop-1-enoxymethyl)cyclopentane
CID 89781153
4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603165
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603384
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603514
3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176604178
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176604361
3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604648
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605133
3-(3-Ethenoxypropyl)oxolane
CID 176605175

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]oxolane (CID 176605243) is 3-[3-[(E)-prop-1-enoxy]propyl]oxolane.
What is the SMILES notation for 3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The canonical SMILES for 3-[3-[(E)-prop-1-enoxy]propyl]oxolane is C/C=C/OCCCC1CCOC1.
What is the InChIKey of 3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The InChIKey is YQAIWSAQTDNRAJ-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-6-11-7-3-4-10-5-8-12-9-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+.
What are the key properties of 3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
3-[3-[(E)-prop-1-enoxy]propyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-prop-1-enoxy]propyl]oxolane is sourced from PubChem (CID 176605243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).