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

C11H20O2 — CID 176603461

IUPAC3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(CC)CCCOC1
InChIInChI=1S/C11H20O2/c1-3-7-12-9-11(4-2)6-5-8-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyZCAWENZVPAIOCG-XVNBXDOJSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

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

3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 176603461) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID176603461
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(CC)CCCOC1
InChIInChI=1S/C11H20O2/c1-3-7-12-9-11(4-2)6-5-8-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyZCAWENZVPAIOCG-XVNBXDOJSA-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'}

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Related Compounds

3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
CID 141378568
3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
3-(Ethenoxymethyl)-3-ethyloxane
CID 161788767
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603165
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603191
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane
CID 176603222
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
3-[1-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603527
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176604178

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane (CID 176603461) is 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1(CC)CCCOC1.
What is the InChIKey of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is ZCAWENZVPAIOCG-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-12-9-11(4-2)6-5-8-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+.
What are the key properties of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane?
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane 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-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane is sourced from PubChem (CID 176603461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).