2-(methoxymethyl)oxirane;styrene

C12H16O2 — CID 174459106

IUPAC2-(methoxymethyl)oxirane;styrene
SMILESC=Cc1ccccc1.COCC1CO1
InChIInChI=1S/C8H8.C4H8O2/c1-2-8-6-4-3-5-7-8;1-5-2-4-3-6-4/h2-7H,1H2;4H,2-3H2,1H3
InChIKeyPKRJJAOVRIFJPJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.36
Rot. Bonds3

About 2-(methoxymethyl)oxirane;styrene

2-(methoxymethyl)oxirane;styrene (PubChem CID 174459106) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(methoxymethyl)oxirane;styrene.

Molecular Properties

Compound Name2-(methoxymethyl)oxirane;styrene
PubChem CID174459106
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(methoxymethyl)oxirane;styrene
SMILESC=Cc1ccccc1.COCC1CO1
InChIInChI=1S/C8H8.C4H8O2/c1-2-8-6-4-3-5-7-8;1-5-2-4-3-6-4/h2-7H,1H2;4H,2-3H2,1H3
InChIKeyPKRJJAOVRIFJPJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(methoxymethyl)oxirane);styrene
CID 174797956
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
bis(2-(methoxymethyl)oxirane);naphthalene
CID 90795590
bis(but-1-ene);bis(2-(methoxymethyl)oxirane);2-phenylpropan-2-ylbenzene
CID 158724996
buta-1,3-dienylbenzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;styrene
CID 174763598
2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene
CID 87308864
1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene
CID 91108111
2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
CID 141222806
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
benzene;ethane;styrene
CID 21219610
1,1-diphenylethylbenzene;ethylbenzene;tris(2-(methoxymethyl)oxirane)
CID 163822620

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)oxirane;styrene?
The IUPAC name of 2-(methoxymethyl)oxirane;styrene (CID 174459106) is 2-(methoxymethyl)oxirane;styrene.
What is the SMILES notation for 2-(methoxymethyl)oxirane;styrene?
The canonical SMILES for 2-(methoxymethyl)oxirane;styrene is C=Cc1ccccc1.COCC1CO1.
What is the InChIKey of 2-(methoxymethyl)oxirane;styrene?
The InChIKey is PKRJJAOVRIFJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H8O2/c1-2-8-6-4-3-5-7-8;1-5-2-4-3-6-4/h2-7H,1H2;4H,2-3H2,1H3.
What are the key properties of 2-(methoxymethyl)oxirane;styrene?
2-(methoxymethyl)oxirane;styrene has a molecular weight of 192.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)oxirane;styrene is sourced from PubChem (CID 174459106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).