2-(Pent-1-enoxymethyl)oxirane

C8H14O2 — CID 54343228

IUPAC2-(pent-1-enoxymethyl)oxirane
SMILESCCCC=COCC1CO1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-9-6-8-7-10-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyUALLXNBBEMTESC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.70
Rot. Bonds5

About 2-(Pent-1-enoxymethyl)oxirane

2-(Pent-1-enoxymethyl)oxirane (PubChem CID 54343228) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(pent-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(Pent-1-enoxymethyl)oxirane
PubChem CID54343228
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(pent-1-enoxymethyl)oxirane
SMILESCCCC=COCC1CO1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-9-6-8-7-10-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyUALLXNBBEMTESC-UHFFFAOYSA-N
XLogP1.70
TPSA21.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.70
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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Related Compounds

1,2-Epoxy-3-(propenyloxy)propane
CID 6436935
2-[(1-Propen-1-yloxy)methyl]oxirane
CID 102656
2-[[(Z)-prop-1-enoxy]methyl]oxirane
CID 11126219
2-[[(E)-oct-1-enoxy]methyl]oxirane
CID 21188340
2-[[(E)-undec-1-enoxy]methyl]oxirane
CID 21225215
2-[[(E)-hex-1-enoxy]methyl]oxirane
CID 21225218
2-[[(E)-non-1-enoxy]methyl]oxirane
CID 21225230
2-[[(E)-but-1-enoxy]methyl]oxirane
CID 21225241
2-(Pent-4-enoxymethyl)oxirane
CID 23466507
2-(But-1-enoxymethyl)oxirane
CID 54184700
2-(Dec-1-enoxymethyl)oxirane
CID 57036247
2-(3-Methylbuta-1,3-dienoxymethyl)oxirane
CID 57211047

Frequently Asked Questions

What is the IUPAC name of 2-(Pent-1-enoxymethyl)oxirane?
The IUPAC name of 2-(Pent-1-enoxymethyl)oxirane (CID 54343228) is 2-(pent-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(Pent-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(Pent-1-enoxymethyl)oxirane is CCCC=COCC1CO1.
What is the InChIKey of 2-(Pent-1-enoxymethyl)oxirane?
The InChIKey is UALLXNBBEMTESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-9-6-8-7-10-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(Pent-1-enoxymethyl)oxirane?
2-(Pent-1-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Pent-1-enoxymethyl)oxirane is sourced from PubChem (CID 54343228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).