2-(prop-2-enoxymethyl)oxirane;styrene

C14H18O2 — CID 21400005

IUPAC2-(prop-2-enoxymethyl)oxirane;styrene
SMILESC=CCOCC1CO1.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H10O2/c1-2-8-6-4-3-5-7-8;1-2-3-7-4-6-5-8-6/h2-7H,1H2;2,6H,1,3-5H2
InChIKeySODMKZSCBYDHME-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds5

About 2-(prop-2-enoxymethyl)oxirane;styrene

2-(prop-2-enoxymethyl)oxirane;styrene (PubChem CID 21400005) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)oxirane;styrene.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)oxirane;styrene
PubChem CID21400005
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(prop-2-enoxymethyl)oxirane;styrene
SMILESC=CCOCC1CO1.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H10O2/c1-2-8-6-4-3-5-7-8;1-2-3-7-4-6-5-8-6/h2-7H,1H2;2,6H,1,3-5H2
InChIKeySODMKZSCBYDHME-UHFFFAOYSA-N
XLogP2.92
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)oxirane;styrene?
The IUPAC name of 2-(prop-2-enoxymethyl)oxirane;styrene (CID 21400005) is 2-(prop-2-enoxymethyl)oxirane;styrene.
What is the SMILES notation for 2-(prop-2-enoxymethyl)oxirane;styrene?
The canonical SMILES for 2-(prop-2-enoxymethyl)oxirane;styrene is C=CCOCC1CO1.C=Cc1ccccc1.
What is the InChIKey of 2-(prop-2-enoxymethyl)oxirane;styrene?
The InChIKey is SODMKZSCBYDHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H10O2/c1-2-8-6-4-3-5-7-8;1-2-3-7-4-6-5-8-6/h2-7H,1H2;2,6H,1,3-5H2.
What are the key properties of 2-(prop-2-enoxymethyl)oxirane;styrene?
2-(prop-2-enoxymethyl)oxirane;styrene has a molecular weight of 218.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)oxirane;styrene is sourced from PubChem (CID 21400005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).