2-(penta-2,4-dienoxymethyl)oxirane

C8H12O2 — CID 141258620

IUPAC2-(penta-2,4-dienoxymethyl)oxirane
SMILESC=CC=CCOCC1CO1
InChIInChI=1S/C8H12O2/c1-2-3-4-5-9-6-8-7-10-8/h2-4,8H,1,5-7H2
InChIKeyCVXHPSBZKHHDCU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.14
Rot. Bonds5

About 2-(penta-2,4-dienoxymethyl)oxirane

2-(penta-2,4-dienoxymethyl)oxirane (PubChem CID 141258620) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(penta-2,4-dienoxymethyl)oxirane.

Molecular Properties

Compound Name2-(penta-2,4-dienoxymethyl)oxirane
PubChem CID141258620
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(penta-2,4-dienoxymethyl)oxirane
SMILESC=CC=CCOCC1CO1
InChIInChI=1S/C8H12O2/c1-2-3-4-5-9-6-8-7-10-8/h2-4,8H,1,5-7H2
InChIKeyCVXHPSBZKHHDCU-UHFFFAOYSA-N
XLogP1.14
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
4-(oxiran-2-ylmethoxy)but-2-en-1-ol
CID 91168498
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane
CID 159306249
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
trimethoxy-[3-(oxiran-2-ylmethoxy)prop-1-enyl]silane
CID 140795789
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
CID 174888667
2-(pentadec-2-enoxymethyl)oxirane
CID 175115833

Frequently Asked Questions

What is the IUPAC name of 2-(penta-2,4-dienoxymethyl)oxirane?
The IUPAC name of 2-(penta-2,4-dienoxymethyl)oxirane (CID 141258620) is 2-(penta-2,4-dienoxymethyl)oxirane.
What is the SMILES notation for 2-(penta-2,4-dienoxymethyl)oxirane?
The canonical SMILES for 2-(penta-2,4-dienoxymethyl)oxirane is C=CC=CCOCC1CO1.
What is the InChIKey of 2-(penta-2,4-dienoxymethyl)oxirane?
The InChIKey is CVXHPSBZKHHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-4-5-9-6-8-7-10-8/h2-4,8H,1,5-7H2.
What are the key properties of 2-(penta-2,4-dienoxymethyl)oxirane?
2-(penta-2,4-dienoxymethyl)oxirane has a molecular weight of 140.18 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(penta-2,4-dienoxymethyl)oxirane is sourced from PubChem (CID 141258620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).