3-ethoxyhex-5-enylsulfanylbenzene

C14H20OS — CID 14320353

IUPAC3-ethoxyhex-5-enylsulfanylbenzene
SMILESC=CCC(CCSc1ccccc1)OCC
InChIInChI=1S/C14H20OS/c1-3-8-13(15-4-2)11-12-16-14-9-6-5-7-10-14/h3,5-7,9-10,13H,1,4,8,11-12H2,2H3
InChIKeyGPVMSMOYVFHAFS-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.15
Rot. Bonds8

About 3-ethoxyhex-5-enylsulfanylbenzene

3-ethoxyhex-5-enylsulfanylbenzene (PubChem CID 14320353) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-ethoxyhex-5-enylsulfanylbenzene.

Molecular Properties

Compound Name3-ethoxyhex-5-enylsulfanylbenzene
PubChem CID14320353
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name3-ethoxyhex-5-enylsulfanylbenzene
SMILESC=CCC(CCSc1ccccc1)OCC
InChIInChI=1S/C14H20OS/c1-3-8-13(15-4-2)11-12-16-14-9-6-5-7-10-14/h3,5-7,9-10,13H,1,4,8,11-12H2,2H3
InChIKeyGPVMSMOYVFHAFS-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
Acetic acid, (phenylthio)-, ethyl ester
CID 97312
3-Phenylthiopropan-2-one
CID 247129
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
Ethyl 3-phenylthiopropionate
CID 320403
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-Ethoxyethylsulfonylbenzene
CID 44377531
((Methoxymethyl)thio)benzene
CID 542598
4-Fluorophenyl 2-oxiranylmethyl sulfide
CID 588223

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyhex-5-enylsulfanylbenzene?
The IUPAC name of 3-ethoxyhex-5-enylsulfanylbenzene (CID 14320353) is 3-ethoxyhex-5-enylsulfanylbenzene.
What is the SMILES notation for 3-ethoxyhex-5-enylsulfanylbenzene?
The canonical SMILES for 3-ethoxyhex-5-enylsulfanylbenzene is C=CCC(CCSc1ccccc1)OCC.
What is the InChIKey of 3-ethoxyhex-5-enylsulfanylbenzene?
The InChIKey is GPVMSMOYVFHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-3-8-13(15-4-2)11-12-16-14-9-6-5-7-10-14/h3,5-7,9-10,13H,1,4,8,11-12H2,2H3.
What are the key properties of 3-ethoxyhex-5-enylsulfanylbenzene?
3-ethoxyhex-5-enylsulfanylbenzene has a molecular weight of 236.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyhex-5-enylsulfanylbenzene is sourced from PubChem (CID 14320353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).