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

C14H16O3S — CID 11644661

IUPAC(6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol
SMILESO[C@H]1C=CC2(OCCO2)[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C14H16O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,11,13,15H,8-10H2/t11-,13-/m0/s1
InChIKeyOYMWLUCPPNPIOI-AAEUAGOBSA-N
MW264.35 g/mol
LogP2.21
Rot. Bonds2

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

(6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol (PubChem CID 11644661) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol.

Molecular Properties

Compound Name(6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol
PubChem CID11644661
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name(6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol
SMILESO[C@H]1C=CC2(OCCO2)[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C14H16O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,11,13,15H,8-10H2/t11-,13-/m0/s1
InChIKeyOYMWLUCPPNPIOI-AAEUAGOBSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Phenylsulfonyl-4,4-ethylenedioxycyclopent-2-en-1-ol
CID 12085021
(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 134930456
(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 134931080
(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 11822582
Phenyl 2,3-O-isopropylidene-1-thio-alpha-D-rhamnopyranoside
CID 11220179
(6R,8S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol
CID 11514489
[(6R,8S)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-yl] acetate
CID 11659519
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-bis(phenylsulfanyl)but-3-en-1-ol
CID 11760908
2-Chloro-4,4-ethylenedioxy-3-phenylsulfanyl-2-cyclopenten-1-ol
CID 12074820
(1s,2s)-3,3-Bis(phenylthio)-1-((4s,5s)-2,2,5-trimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
CID 129852829
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(phenylsulfanyl)propan-1-ol
CID 134929316
(4R,7R)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 164670879

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol?
The IUPAC name of (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol (CID 11644661) is (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol.
What is the SMILES notation for (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol?
The canonical SMILES for (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol is O[C@H]1C=CC2(OCCO2)[C@@H](Sc2ccccc2)C1.
What is the InChIKey of (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol?
The InChIKey is OYMWLUCPPNPIOI-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H16O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,11,13,15H,8-10H2/t11-,13-/m0/s1.
What are the key properties of (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol?
(6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol has a molecular weight of 264.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol is sourced from PubChem (CID 11644661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).