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

C12H22O2 — CID 176605133

IUPAC3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1(CC)CCOC1
InChIInChI=1S/C12H22O2/c1-3-8-13-9-5-6-12(4-2)7-10-14-11-12/h3,8H,4-7,9-11H2,1-2H3/b8-3+
InChIKeyZCARYRFBUCVMEE-FPYGCLRLSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds6

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

3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane (PubChem CID 176605133) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane.

Molecular Properties

Compound Name3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
PubChem CID176605133
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1(CC)CCOC1
InChIInChI=1S/C12H22O2/c1-3-8-13-9-5-6-12(4-2)7-10-14-11-12/h3,8H,4-7,9-11H2,1-2H3/b8-3+
InChIKeyZCARYRFBUCVMEE-FPYGCLRLSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
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

3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
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-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603514
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176604361
3-(3-Ethenoxypropyl)-3-ethyloxolane
CID 176604524
3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605243

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The IUPAC name of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane (CID 176605133) is 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane.
What is the SMILES notation for 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The canonical SMILES for 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane is C/C=C/OCCCC1(CC)CCOC1.
What is the InChIKey of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The InChIKey is ZCARYRFBUCVMEE-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-8-13-9-5-6-12(4-2)7-10-14-11-12/h3,8H,4-7,9-11H2,1-2H3/b8-3+.
What are the key properties of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane?
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane is sourced from PubChem (CID 176605133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).