2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane

C10H18O2 — CID 176605297

IUPAC2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
SMILESC/C=C/OCCCC1(CC)CO1
InChIInChI=1S/C10H18O2/c1-3-7-11-8-5-6-10(4-2)9-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyXLPWOCSVXPRWQV-XVNBXDOJSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds6

About 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane

2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane (PubChem CID 176605297) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane.

Molecular Properties

Compound Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
PubChem CID176605297
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
SMILESC/C=C/OCCCC1(CC)CO1
InChIInChI=1S/C10H18O2/c1-3-7-11-8-5-6-10(4-2)9-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyXLPWOCSVXPRWQV-XVNBXDOJSA-N
XLogP2.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(1,1,2,2,2-Pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane
CID 150795142
2-(2-Prop-1-enoxyethyl)-2-propyloxirane
CID 54292674
2-(1-Prop-1-enoxypentan-3-yl)oxirane
CID 149823673
2-(1-Prop-1-enoxypentan-2-yl)oxirane
CID 149992988
2-(4-Prop-1-enoxybutan-2-yl)oxirane
CID 150088170
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
CID 150544683
2-Ethyl-2-(3-prop-1-enoxypropyl)oxirane
CID 152411902
2-(3-Ethenoxypropyl)-2-ethyloxirane
CID 176603120
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
The IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane (CID 176605297) is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane.
What is the SMILES notation for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
The canonical SMILES for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane is C/C=C/OCCCC1(CC)CO1.
What is the InChIKey of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
The InChIKey is XLPWOCSVXPRWQV-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-11-8-5-6-10(4-2)9-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+.
What are the key properties of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane is sourced from PubChem (CID 176605297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).