3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane

C10H18O2 — CID 176605430

IUPAC3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1(CC)CCOC1
InChIInChI=1S/C10H18O2/c1-3-6-11-8-10(4-2)5-7-12-9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyZYHBKCOGMBRPNG-ZZXKWVIFSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

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

3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane (PubChem CID 176605430) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane.

Molecular Properties

Compound Name3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
PubChem CID176605430
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1(CC)CCOC1
InChIInChI=1S/C10H18O2/c1-3-6-11-8-10(4-2)5-7-12-9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyZYHBKCOGMBRPNG-ZZXKWVIFSA-N
XLogP2.35
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 ≤ 52.35
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

3-Ethyl-3-(2-prop-1-enoxyethyl)oxetane
CID 149734533
3-Methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603529
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604648
4-methyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176605097
3-(Ethenoxymethyl)-3-ethyloxolane
CID 176605176

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
The IUPAC name of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane (CID 176605430) is 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane.
What is the SMILES notation for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
The canonical SMILES for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane is C/C=C/OCC1(CC)CCOC1.
What is the InChIKey of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
The InChIKey is ZYHBKCOGMBRPNG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-11-8-10(4-2)5-7-12-9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+.
What are the key properties of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane?
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane is sourced from PubChem (CID 176605430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).