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

C8H14O2 — CID 176604577

IUPAC2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
SMILESC/C=C/OCCC1(C)CO1
InChIInChI=1S/C8H14O2/c1-3-5-9-6-4-8(2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyKNLRIDFMBLDSNV-HWKANZROSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds4

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

2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane (PubChem CID 176604577) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
PubChem CID176604577
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
SMILESC/C=C/OCCC1(C)CO1
InChIInChI=1S/C8H14O2/c1-3-5-9-6-4-8(2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyKNLRIDFMBLDSNV-HWKANZROSA-N
XLogP1.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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-(2-Prop-1-enoxyethyl)oxirane
CID 53632972
2,2-Dimethyl-3-(prop-1-enoxymethyl)oxirane
CID 54050941
2,3-Dimethyl-2-(prop-1-enoxymethyl)oxirane
CID 140365265
2-(1-Prop-1-enoxypropan-2-yl)oxirane
CID 149825797
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
CID 149853181
2-(2-Ethenoxyethyl)-2-methyloxirane
CID 151793155
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603567
2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176603662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
The IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane (CID 176604577) is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane.
What is the SMILES notation for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
The canonical SMILES for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane is C/C=C/OCCC1(C)CO1.
What is the InChIKey of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
The InChIKey is KNLRIDFMBLDSNV-HWKANZROSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-9-6-4-8(2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane is sourced from PubChem (CID 176604577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).