2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane

C15H20O2S — CID 11021774

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane
SMILESCOc1ccc(/C=C/C2OCCC(C)(C)S2)cc1
InChIInChI=1S/C15H20O2S/c1-15(2)10-11-17-14(18-15)9-6-12-4-7-13(16-3)8-5-12/h4-9,14H,10-11H2,1-3H3/b9-6+
InChIKeyWNOIPMUAKOZTMT-RMKNXTFCSA-N
MW264.39 g/mol
LogP3.97
Rot. Bonds3

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane

2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane (PubChem CID 11021774) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane
PubChem CID11021774
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane
SMILESCOc1ccc(/C=C/C2OCCC(C)(C)S2)cc1
InChIInChI=1S/C15H20O2S/c1-15(2)10-11-17-14(18-15)9-6-12-4-7-13(16-3)8-5-12/h4-9,14H,10-11H2,1-3H3/b9-6+
InChIKeyWNOIPMUAKOZTMT-RMKNXTFCSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
CID 102309158
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane
CID 102385055
methyl (2R,3R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxooxane-3-carboxylate
CID 146652851
(3aR,5R,6S,6aR)-6-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 101250823
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-prop-1-enylbenzene
CID 67322568
2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442
(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
CID 91990026
CID 135078844
CID 135078844
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 586240

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane (CID 11021774) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane is COc1ccc(/C=C/C2OCCC(C)(C)S2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane?
The InChIKey is WNOIPMUAKOZTMT-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20O2S/c1-15(2)10-11-17-14(18-15)9-6-12-4-7-13(16-3)8-5-12/h4-9,14H,10-11H2,1-3H3/b9-6+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane has a molecular weight of 264.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane is sourced from PubChem (CID 11021774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).