2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene

C15H20O3 — CID 87233413

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
SMILESC(OCC1CO1)C1CO1.C=CCc1ccccc1
InChIInChI=1S/C9H10.C6H10O3/c1-2-6-9-7-4-3-5-8-9;1(5-3-8-5)7-2-6-4-9-6/h2-5,7-8H,1,6H2;5-6H,1-4H2
InChIKeyHQCASAUZICOTRP-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.22
Rot. Bonds6

About 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene

2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene (PubChem CID 87233413) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
PubChem CID87233413
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
SMILESC(OCC1CO1)C1CO1.C=CCc1ccccc1
InChIInChI=1S/C9H10.C6H10O3/c1-2-6-9-7-4-3-5-8-9;1(5-3-8-5)7-2-6-4-9-6/h2-5,7-8H,1,6H2;5-6H,1-4H2
InChIKeyHQCASAUZICOTRP-UHFFFAOYSA-N
XLogP2.22
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
CID 19736108
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
prop-2-enylbenzene
CID 159998516
CID 173215164
CID 173215164
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene (CID 87233413) is 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene is C(OCC1CO1)C1CO1.C=CCc1ccccc1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene?
The InChIKey is HQCASAUZICOTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C6H10O3/c1-2-6-9-7-4-3-5-8-9;1(5-3-8-5)7-2-6-4-9-6/h2-5,7-8H,1,6H2;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene?
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene has a molecular weight of 248.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene is sourced from PubChem (CID 87233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).