(6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

C14H14O3S — CID 101098845

IUPAC(6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=CC2(OCCO2)[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2/t13-/m0/s1
InChIKeyUCZZXVCKCKYUEN-ZDUSSCGKSA-N
MW262.33 g/mol
LogP2.42
Rot. Bonds2

About (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

(6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 101098845) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID101098845
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=CC2(OCCO2)[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2/t13-/m0/s1
InChIKeyUCZZXVCKCKYUEN-ZDUSSCGKSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Ethylenedioxy-2,3-bis(phenylsulfanyl)-2-cyclopentenone
CID 12074818
4-[2-[(E)-2-phenylsulfanylethenyl]-1,3-dioxolan-2-yl]butanal
CID 14616955
1-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-2-phenylsulfanylethanone
CID 19000567
1-(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-2-phenylsulfanylethanone
CID 19000628
1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-2-phenylsulfanylethanone
CID 19000672
1-(Benzenesulfinyl)-4-(2-methyl-1,3-dioxolan-2-yl)butan-2-one
CID 10636630
3-(2-Methyl-1,3-dioxolan-2-yl)-3-phenylsulfanylpropanal
CID 10658475
3-(2-Methyl-1,3-dioxolan-2-yl)-2-phenylsulfanylpropanal
CID 10705982
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 10-(phenylthio)-
CID 10901426
S-phenyl 3-(2-methyl-1,3-dioxolan-2-yl)propanethioate
CID 12617278
[(1S)-4-oxo-5-phenylsulfanylcyclohex-2-en-1-yl] acetate
CID 56601257
4,4-Dimethoxy-5-phenylsulfanylcyclohex-2-en-1-one
CID 86186162

Frequently Asked Questions

What is the IUPAC name of (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 101098845) is (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is O=C1C=CC2(OCCO2)[C@@H](Sc2ccccc2)C1.
What is the InChIKey of (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is UCZZXVCKCKYUEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2/t13-/m0/s1.
What are the key properties of (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
(6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 262.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 101098845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).