[6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene

C15H20O2S — CID 86034417

IUPAC[6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene
SMILESCCOCOC1CCCC=C1Sc1ccccc1
InChIInChI=1S/C15H20O2S/c1-2-16-12-17-14-10-6-7-11-15(14)18-13-8-4-3-5-9-13/h3-5,8-9,11,14H,2,6-7,10,12H2,1H3
InChIKeyKIOSQXFIZJPKOP-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.23
Rot. Bonds6

About [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene

[6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene (PubChem CID 86034417) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene.

Molecular Properties

Compound Name[6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene
PubChem CID86034417
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name[6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene
SMILESCCOCOC1CCCC=C1Sc1ccccc1
InChIInChI=1S/C15H20O2S/c1-2-16-12-17-14-10-6-7-11-15(14)18-13-8-4-3-5-9-13/h3-5,8-9,11,14H,2,6-7,10,12H2,1H3
InChIKeyKIOSQXFIZJPKOP-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2E,6E)-3,7-dimethyl-8-phenylsulfanyl-octa-2,6-dienoxy]tetrahydropyran
CID 12116733
2-[2-(Phenylthio)prop-2-enoxy]tetrahydropyran
CID 24973546
[(E)-4,4-dimethoxy-2-methylbut-2-enyl]sulfanylbenzene
CID 10966576
5-(Methoxymethoxy)undec-1-en-2-ylsulfanylbenzene
CID 14172398
2-[(Z)-3-iodo-3-phenylsulfanylprop-2-enoxy]oxane
CID 14789931
[(E)-4,4-dimethoxybut-2-enyl]sulfanylbenzene
CID 14890214
2-[(E)-3-iodo-3-phenylsulfanylprop-2-enoxy]oxane
CID 25136199
[5-(Ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene
CID 86034408
[(Z)-5-iodo-3-(2-methoxypropan-2-yloxy)pent-4-enyl]sulfanylbenzene
CID 134840622
(4S)-2,2,4-trimethyl-6-phenylsulfanyl-1,3-dioxane
CID 134986391
Methyl 1-phenylsulfanylpentyl carbonate
CID 134986828
methyl (Z)-5,7,7-trimethoxy-3-phenylsulfanylhept-2-enoate
CID 135011201

Frequently Asked Questions

What is the IUPAC name of [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene?
The IUPAC name of [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene (CID 86034417) is [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene.
What is the SMILES notation for [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene?
The canonical SMILES for [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene is CCOCOC1CCCC=C1Sc1ccccc1.
What is the InChIKey of [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene?
The InChIKey is KIOSQXFIZJPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-2-16-12-17-14-10-6-7-11-15(14)18-13-8-4-3-5-9-13/h3-5,8-9,11,14H,2,6-7,10,12H2,1H3.
What are the key properties of [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene?
[6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene has a molecular weight of 264.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene is sourced from PubChem (CID 86034417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).