2-(Pent-4-enoxymethyl)oxirane

C8H14O2 — CID 23466507

IUPAC2-(pent-4-enoxymethyl)oxirane
SMILESC=CCCCOCC1CO1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-9-6-8-7-10-8/h2,8H,1,3-7H2
InChIKeyGFZCDYDYTBNXHT-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds6

About 2-(Pent-4-enoxymethyl)oxirane

2-(Pent-4-enoxymethyl)oxirane (PubChem CID 23466507) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(pent-4-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(Pent-4-enoxymethyl)oxirane
PubChem CID23466507
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(pent-4-enoxymethyl)oxirane
SMILESC=CCCCOCC1CO1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-9-6-8-7-10-8/h2,8H,1,3-7H2
InChIKeyGFZCDYDYTBNXHT-UHFFFAOYSA-N
XLogP1.20
TPSA21.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity101

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(Pent-4-enoxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 11195175
2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane
CID 175321997
2-(1,1,1,2,3,3-Hexafluorohex-5-en-2-yloxymethyl)oxirane
CID 175322006
2-(But-3-enoxymethyl)oxirane
CID 22138296
2-(Hept-6-enoxymethyl)oxirane
CID 22934435
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
2-[1-[1-(Oxiran-2-yl)prop-2-enoxy]prop-2-enyl]oxirane
CID 53649937
2-(Pent-1-enoxymethyl)oxirane
CID 54343228
2-Prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane
CID 56980724
(2S)-2-[1-[1-[(2S)-oxiran-2-yl]but-3-enoxy]but-3-enyl]oxirane
CID 57107091
(2S)-2-(but-3-enoxymethyl)oxirane
CID 88092777
2-[1-(2-Hydroperoxyethoxy)but-3-enyl]oxirane
CID 88186947

Frequently Asked Questions

What is the IUPAC name of 2-(Pent-4-enoxymethyl)oxirane?
The IUPAC name of 2-(Pent-4-enoxymethyl)oxirane (CID 23466507) is 2-(pent-4-enoxymethyl)oxirane.
What is the SMILES notation for 2-(Pent-4-enoxymethyl)oxirane?
The canonical SMILES for 2-(Pent-4-enoxymethyl)oxirane is C=CCCCOCC1CO1.
What is the InChIKey of 2-(Pent-4-enoxymethyl)oxirane?
The InChIKey is GFZCDYDYTBNXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-9-6-8-7-10-8/h2,8H,1,3-7H2.
What are the key properties of 2-(Pent-4-enoxymethyl)oxirane?
2-(Pent-4-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Pent-4-enoxymethyl)oxirane is sourced from PubChem (CID 23466507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).