2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane

C14H22OS2 — CID 90401607

IUPAC2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane
SMILESC=CCC1SCCC1OC1CCSC1CC=C
InChIInChI=1S/C14H22OS2/c1-3-5-13-11(7-9-16-13)15-12-8-10-17-14(12)6-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyVZEOTRHHNDQYST-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.90
Rot. Bonds6

About 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane

2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane (PubChem CID 90401607) has the molecular formula C14H22OS2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane.

Molecular Properties

Compound Name2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane
PubChem CID90401607
Molecular FormulaC14H22OS2
Molecular Weight270.46 g/mol
Exact Mass270.11
IUPAC Name2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane
SMILESC=CCC1SCCC1OC1CCSC1CC=C
InChIInChI=1S/C14H22OS2/c1-3-5-13-11(7-9-16-13)15-12-8-10-17-14(12)6-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyVZEOTRHHNDQYST-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2,2-bis(prop-2-enyl)-1,3-oxathiolane
CID 68128655
1,3,4,6-Tetrakis(prop-2-enyl)-7-oxa-2,5-dithiabicyclo[2.2.1]heptane
CID 70523007
2-[(E)-but-2-enyl]-3-[2-[(E)-but-2-enyl]thiolan-3-yl]oxythiolane
CID 90401555
3-(1,1-Dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide
CID 90401608
2-(Cyclopentyloxymethyl)-2,3-dihydrothiophene
CID 91295387
3-But-3-en-2-ylsulfanyl-2-methyloxolane
CID 130684420

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane?
The IUPAC name of 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane (CID 90401607) is 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane.
What is the SMILES notation for 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane?
The canonical SMILES for 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane is C=CCC1SCCC1OC1CCSC1CC=C.
What is the InChIKey of 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane?
The InChIKey is VZEOTRHHNDQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS2/c1-3-5-13-11(7-9-16-13)15-12-8-10-17-14(12)6-4-2/h3-4,11-14H,1-2,5-10H2.
What are the key properties of 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane?
2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane has a molecular weight of 270.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3-(2-prop-2-enylthiolan-3-yl)oxythiolane is sourced from PubChem (CID 90401607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).