oxane;styrene

C13H18O — CID 69477465

IUPACoxane;styrene
SMILESC1CCOCC1.C=Cc1ccccc1
InChIInChI=1S/C8H8.C5H10O/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h2-7H,1H2;1-5H2
InChIKeyNYMWQTGAPHERML-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.52
Rot. Bonds1

About oxane;styrene

oxane;styrene (PubChem CID 69477465) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is oxane;styrene.

Molecular Properties

Compound Nameoxane;styrene
PubChem CID69477465
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nameoxane;styrene
SMILESC1CCOCC1.C=Cc1ccccc1
InChIInChI=1S/C8H8.C5H10O/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h2-7H,1H2;1-5H2
InChIKeyNYMWQTGAPHERML-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of oxane;styrene?
The IUPAC name of oxane;styrene (CID 69477465) is oxane;styrene.
What is the SMILES notation for oxane;styrene?
The canonical SMILES for oxane;styrene is C1CCOCC1.C=Cc1ccccc1.
What is the InChIKey of oxane;styrene?
The InChIKey is NYMWQTGAPHERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H10O/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h2-7H,1H2;1-5H2.
What are the key properties of oxane;styrene?
oxane;styrene has a molecular weight of 190.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;styrene is sourced from PubChem (CID 69477465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).