(4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]

C17H14O2S — CID 11219794

IUPAC(4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]
SMILESC=C[C@H]1COC2(S1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C17H14O2S/c1-2-12-11-18-17(20-12)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)17/h2-10,12H,1,11H2/t12-/m0/s1
InChIKeyNETYHRJPBJAJFD-LBPRGKRZSA-N
MW282.36 g/mol
LogP4.31
Rot. Bonds1

About (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]

(4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene] (PubChem CID 11219794) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene].

Molecular Properties

Compound Name(4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]
PubChem CID11219794
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name(4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]
SMILESC=C[C@H]1COC2(S1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C17H14O2S/c1-2-12-11-18-17(20-12)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)17/h2-10,12H,1,11H2/t12-/m0/s1
InChIKeyNETYHRJPBJAJFD-LBPRGKRZSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]?
The IUPAC name of (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene] (CID 11219794) is (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene].
What is the SMILES notation for (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]?
The canonical SMILES for (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene] is C=C[C@H]1COC2(S1)c1ccccc1Oc1ccccc12.
What is the InChIKey of (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]?
The InChIKey is NETYHRJPBJAJFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14O2S/c1-2-12-11-18-17(20-12)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)17/h2-10,12H,1,11H2/t12-/m0/s1.
What are the key properties of (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene]?
(4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene] has a molecular weight of 282.36 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenylspiro[1,3-oxathiolane-2,9'-xanthene] is sourced from PubChem (CID 11219794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).