14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene

C20H26OS — CID 13171791

IUPAC14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene
SMILESC1=C(Sc2ccccc2)C2(CCCCC2)OC12CCCCC2
InChIInChI=1S/C20H26OS/c1-4-10-17(11-5-1)22-18-16-19(12-6-2-7-13-19)21-20(18)14-8-3-9-15-20/h1,4-5,10-11,16H,2-3,6-9,12-15H2
InChIKeySXXXXXRILARHAA-UHFFFAOYSA-N
MW314.49 g/mol
LogP6.10
Rot. Bonds2

About 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene

14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene (PubChem CID 13171791) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene.

Molecular Properties

Compound Name14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene
PubChem CID13171791
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene
SMILESC1=C(Sc2ccccc2)C2(CCCCC2)OC12CCCCC2
InChIInChI=1S/C20H26OS/c1-4-10-17(11-5-1)22-18-16-19(12-6-2-7-13-19)21-20(18)14-8-3-9-15-20/h1,4-5,10-11,16H,2-3,6-9,12-15H2
InChIKeySXXXXXRILARHAA-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methoxycyclohexyl)ethenylsulfanylbenzene
CID 11673221
1-(2-Cyclohexylidene-1-phenylsulfanylethenyl)cyclohexan-1-ol
CID 13171785
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171788
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.4]non-3-ene
CID 13171789
2,2-Dimethyl-3-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171790
14-Phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene
CID 13171792
2,2,5,5-Tetramethyl-3,4-bis(phenylsulfanyl)furan
CID 13171794
(1R,2R,5R)-1,5-dimethyl-3-methylidene-2-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 102367652
2,2-Dimethyl-4-(4-methylphenyl)sulfonyl-1-oxaspiro[4.5]dec-3-ene
CID 154711754
1-Oxaspiro[4.5]dec-3-en-2-one, 4-(phenylthio)-
CID 10848938
3-Methyl-4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 11460026
1-[2-Methyl-1-(phenylsulfanyl)-1-propenyl]cyclohexanol
CID 12517363

Frequently Asked Questions

What is the IUPAC name of 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene?
The IUPAC name of 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene (CID 13171791) is 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene.
What is the SMILES notation for 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene?
The canonical SMILES for 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene is C1=C(Sc2ccccc2)C2(CCCCC2)OC12CCCCC2.
What is the InChIKey of 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene?
The InChIKey is SXXXXXRILARHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c1-4-10-17(11-5-1)22-18-16-19(12-6-2-7-13-19)21-20(18)14-8-3-9-15-20/h1,4-5,10-11,16H,2-3,6-9,12-15H2.
What are the key properties of 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene?
14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene has a molecular weight of 314.49 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene is sourced from PubChem (CID 13171791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).