ethenoxyethane;2-methyloxirane

C7H14O2 — CID 129283889

IUPACethenoxyethane;2-methyloxirane
SMILESC=COCC.CC1CO1
InChIInChI=1S/C4H8O.C3H6O/c1-3-5-4-2;1-3-2-4-3/h3H,1,4H2,2H3;3H,2H2,1H3
InChIKeyNSUNFTUGSPTMRX-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds2

About ethenoxyethane;2-methyloxirane

ethenoxyethane;2-methyloxirane (PubChem CID 129283889) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is ethenoxyethane;2-methyloxirane.

Molecular Properties

Compound Nameethenoxyethane;2-methyloxirane
PubChem CID129283889
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameethenoxyethane;2-methyloxirane
SMILESC=COCC.CC1CO1
InChIInChI=1S/C4H8O.C3H6O/c1-3-5-4-2;1-3-2-4-3/h3H,1,4H2,2H3;3H,2H2,1H3
InChIKeyNSUNFTUGSPTMRX-UHFFFAOYSA-N
XLogP1.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethane;2-methyloxirane?
The IUPAC name of ethenoxyethane;2-methyloxirane (CID 129283889) is ethenoxyethane;2-methyloxirane.
What is the SMILES notation for ethenoxyethane;2-methyloxirane?
The canonical SMILES for ethenoxyethane;2-methyloxirane is C=COCC.CC1CO1.
What is the InChIKey of ethenoxyethane;2-methyloxirane?
The InChIKey is NSUNFTUGSPTMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O/c1-3-5-4-2;1-3-2-4-3/h3H,1,4H2,2H3;3H,2H2,1H3.
What are the key properties of ethenoxyethane;2-methyloxirane?
ethenoxyethane;2-methyloxirane has a molecular weight of 130.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane;2-methyloxirane is sourced from PubChem (CID 129283889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).