5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione

C15H18O2S — CID 14373651

IUPAC5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione
SMILESC=CCC1CC(COCc2ccccc2)OC1=S
InChIInChI=1S/C15H18O2S/c1-2-6-13-9-14(17-15(13)18)11-16-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKeyWVRKKOKXAPMZER-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.51
Rot. Bonds6

About 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione

5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione (PubChem CID 14373651) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione
PubChem CID14373651
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione
SMILESC=CCC1CC(COCc2ccccc2)OC1=S
InChIInChI=1S/C15H18O2S/c1-2-6-13-9-14(17-15(13)18)11-16-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKeyWVRKKOKXAPMZER-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylbut-3-en-2-yl)-5-(phenylmethoxymethyl)oxolane-2-thione
CID 134920499
3-(1-phenylmethoxybut-3-en-2-yl)-5-(phenylmethoxymethyl)oxolane-2-thione
CID 134920380
3-(2-methyl-1-phenylmethoxybut-3-en-2-yl)-5-(phenylmethoxymethyl)oxolane-2-thione
CID 134920500
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
(4S,6R)-4-ethenyl-6-(phenylmethoxymethyl)oxan-2-one
CID 14667665
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxane
CID 70186984
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione?
The IUPAC name of 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione (CID 14373651) is 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione.
What is the SMILES notation for 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione?
The canonical SMILES for 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione is C=CCC1CC(COCc2ccccc2)OC1=S.
What is the InChIKey of 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione?
The InChIKey is WVRKKOKXAPMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-2-6-13-9-14(17-15(13)18)11-16-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2.
What are the key properties of 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione?
5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione has a molecular weight of 262.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione is sourced from PubChem (CID 14373651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).