(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]

C17H22OS — CID 11277350

IUPAC(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
SMILESC=C[C@H]1COC2(S1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C17H22OS/c1-6-12-11-18-17(19-12)15(2,3)13-9-7-8-10-14(13)16(17,4)5/h6-10,12H,1,11H2,2-5H3/t12-/m0/s1
InChIKeyDXKYIHYOPDMAPV-LBPRGKRZSA-N
MW274.43 g/mol
LogP4.27
Rot. Bonds1

About (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]

(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene] (PubChem CID 11277350) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene].

Molecular Properties

Compound Name(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
PubChem CID11277350
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
SMILESC=C[C@H]1COC2(S1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C17H22OS/c1-6-12-11-18-17(19-12)15(2,3)13-9-7-8-10-14(13)16(17,4)5/h6-10,12H,1,11H2,2-5H3/t12-/m0/s1
InChIKeyDXKYIHYOPDMAPV-LBPRGKRZSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4,5-Difluorospiro[1,2-dihydroindene-3,2'-1,3-dithiolane]-2-yl)-2-pentyloxane
CID 134456977
(1'R,2S,4R,4'R)-1',7',7'-trimethyl-4-phenylspiro[1,3-oxathiolane-2,2'-bicyclo[2.2.1]heptane]
CID 101258232
(1'R,2R,4R,4'R)-1',7',7'-trimethyl-4-phenylspiro[1,3-oxathiolane-2,2'-bicyclo[2.2.1]heptane]
CID 101258235
(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]
CID 166445821
1',1',3',3'-Tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156724
1',1',3',3',5-Pentamethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156727
5-Butyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156728
1',1',3',3',4-Pentamethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156729
4-Butyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156730
9-(Methoxymethyl)-9-(methylsulfanylmethyl)fluorene
CID 86045628
9-(Ethylsulfanylmethyl)-9-(methoxymethyl)fluorene
CID 86045629
9-(Methoxymethyl)-9-(propylsulfanylmethyl)fluorene
CID 86045630

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]?
The IUPAC name of (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene] (CID 11277350) is (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene].
What is the SMILES notation for (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]?
The canonical SMILES for (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene] is C=C[C@H]1COC2(S1)C(C)(C)c1ccccc1C2(C)C.
What is the InChIKey of (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]?
The InChIKey is DXKYIHYOPDMAPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22OS/c1-6-12-11-18-17(19-12)15(2,3)13-9-7-8-10-14(13)16(17,4)5/h6-10,12H,1,11H2,2-5H3/t12-/m0/s1.
What are the key properties of (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]?
(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene] has a molecular weight of 274.43 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene] is sourced from PubChem (CID 11277350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).