[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene

C17H28OS — CID 85090306

IUPAC[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene
SMILESCCCC[C@H](Sc1ccccc1)[C@@H](CCCC)OC
InChIInChI=1S/C17H28OS/c1-4-6-13-16(18-3)17(14-7-5-2)19-15-11-9-8-10-12-15/h8-12,16-17H,4-7,13-14H2,1-3H3/t16-,17+/m1/s1
InChIKeyZHOGYGDQLHGOGZ-SJORKVTESA-N
MW280.48 g/mol
LogP5.54
Rot. Bonds10

About [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene

[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene (PubChem CID 85090306) has the molecular formula C17H28OS and a molecular weight of 280.48 g/mol. Its IUPAC name is [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene
PubChem CID85090306
Molecular FormulaC17H28OS
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene
SMILESCCCC[C@H](Sc1ccccc1)[C@@H](CCCC)OC
InChIInChI=1S/C17H28OS/c1-4-6-13-16(18-3)17(14-7-5-2)19-15-11-9-8-10-12-15/h8-12,16-17H,4-7,13-14H2,1-3H3/t16-,17+/m1/s1
InChIKeyZHOGYGDQLHGOGZ-SJORKVTESA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
2-(Phenylsulfanyl)cyclohexanol
CID 278135
Decyl phenyl sulfide
CID 573703
2-Octoxyethylsulfonylbenzene
CID 44377556
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
Benzene, (dodecylthio)-
CID 10016411
1-(Phenylsulfanyl)-2-octanol
CID 11276474
(Phenylthio)acetic acid, octyl ester
CID 531629
(Phenylthio)acetic acid, dodecyl ester
CID 531632
1-(1-Butoxyethylsulfanyl)-4-fluorobenzene
CID 101898093

Frequently Asked Questions

What is the IUPAC name of [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene?
The IUPAC name of [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene (CID 85090306) is [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene.
What is the SMILES notation for [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene?
The canonical SMILES for [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene is CCCC[C@H](Sc1ccccc1)[C@@H](CCCC)OC.
What is the InChIKey of [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene?
The InChIKey is ZHOGYGDQLHGOGZ-SJORKVTESA-N. The full InChI is InChI=1S/C17H28OS/c1-4-6-13-16(18-3)17(14-7-5-2)19-15-11-9-8-10-12-15/h8-12,16-17H,4-7,13-14H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene?
[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene has a molecular weight of 280.48 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene is sourced from PubChem (CID 85090306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).