2-(methoxymethyl)-3-pent-3-en-2-yloxirane

C9H16O2 — CID 150204912

IUPAC2-(methoxymethyl)-3-pent-3-en-2-yloxirane
SMILESCC=CC(C)C1OC1COC
InChIInChI=1S/C9H16O2/c1-4-5-7(2)9-8(11-9)6-10-3/h4-5,7-9H,6H2,1-3H3
InChIKeyFQGVZMJRLDVJOD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds4

About 2-(methoxymethyl)-3-pent-3-en-2-yloxirane

2-(methoxymethyl)-3-pent-3-en-2-yloxirane (PubChem CID 150204912) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-pent-3-en-2-yloxirane.

Molecular Properties

Compound Name2-(methoxymethyl)-3-pent-3-en-2-yloxirane
PubChem CID150204912
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(methoxymethyl)-3-pent-3-en-2-yloxirane
SMILESCC=CC(C)C1OC1COC
InChIInChI=1S/C9H16O2/c1-4-5-7(2)9-8(11-9)6-10-3/h4-5,7-9H,6H2,1-3H3
InChIKeyFQGVZMJRLDVJOD-UHFFFAOYSA-N
XLogP1.61
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-pent-3-en-2-yloxirane?
The IUPAC name of 2-(methoxymethyl)-3-pent-3-en-2-yloxirane (CID 150204912) is 2-(methoxymethyl)-3-pent-3-en-2-yloxirane.
What is the SMILES notation for 2-(methoxymethyl)-3-pent-3-en-2-yloxirane?
The canonical SMILES for 2-(methoxymethyl)-3-pent-3-en-2-yloxirane is CC=CC(C)C1OC1COC.
What is the InChIKey of 2-(methoxymethyl)-3-pent-3-en-2-yloxirane?
The InChIKey is FQGVZMJRLDVJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-7(2)9-8(11-9)6-10-3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-3-pent-3-en-2-yloxirane?
2-(methoxymethyl)-3-pent-3-en-2-yloxirane has a molecular weight of 156.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-pent-3-en-2-yloxirane is sourced from PubChem (CID 150204912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).