14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene

C19H24OS — CID 13171792

IUPAC14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene
SMILESC1=C(Sc2ccccc2)C2(CCCC2)OC12CCCCC2
InChIInChI=1S/C19H24OS/c1-3-9-16(10-4-1)21-17-15-18(11-5-2-6-12-18)20-19(17)13-7-8-14-19/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyYOAUDYHMMXONNR-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.71
Rot. Bonds2

About 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene

14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene (PubChem CID 13171792) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene.

Molecular Properties

Compound Name14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene
PubChem CID13171792
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene
SMILESC1=C(Sc2ccccc2)C2(CCCC2)OC12CCCCC2
InChIInChI=1S/C19H24OS/c1-3-9-16(10-4-1)21-17-15-18(11-5-2-6-12-18)20-19(17)13-7-8-14-19/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyYOAUDYHMMXONNR-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methoxycyclohexyl)ethenylsulfanylbenzene
CID 11673221
(1S,4R,5S)-5-methyl-2-phenylsulfanyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 12024161
1-(2-Cyclohexylidene-1-phenylsulfanylethenyl)cyclopentan-1-ol
CID 13171786
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-7-oxadispiro[5.1.58.26]pentadec-14-ene
CID 13171791
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
[1-(1-Phenylsulfanylpropa-1,2-dienyl)cyclopentyl] acetate
CID 10934650

Frequently Asked Questions

What is the IUPAC name of 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene?
The IUPAC name of 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene (CID 13171792) is 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene.
What is the SMILES notation for 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene?
The canonical SMILES for 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene is C1=C(Sc2ccccc2)C2(CCCC2)OC12CCCCC2.
What is the InChIKey of 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene?
The InChIKey is YOAUDYHMMXONNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c1-3-9-16(10-4-1)21-17-15-18(11-5-2-6-12-18)20-19(17)13-7-8-14-19/h1,3-4,9-10,15H,2,5-8,11-14H2.
What are the key properties of 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene?
14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene has a molecular weight of 300.47 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene is sourced from PubChem (CID 13171792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).