[5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene

C14H18O2S — CID 86034408

IUPAC[5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene
SMILESCCOCOC1CCC=C1Sc1ccccc1
InChIInChI=1S/C14H18O2S/c1-2-15-11-16-13-9-6-10-14(13)17-12-7-4-3-5-8-12/h3-5,7-8,10,13H,2,6,9,11H2,1H3
InChIKeyYFVCUHQPFWTRJZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.84
Rot. Bonds6

About [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene

[5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene (PubChem CID 86034408) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene.

Molecular Properties

Compound Name[5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene
PubChem CID86034408
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name[5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene
SMILESCCOCOC1CCC=C1Sc1ccccc1
InChIInChI=1S/C14H18O2S/c1-2-15-11-16-13-9-6-10-14(13)17-12-7-4-3-5-8-12/h3-5,7-8,10,13H,2,6,9,11H2,1H3
InChIKeyYFVCUHQPFWTRJZ-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.84
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

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
2-[2-(Phenylthio)prop-2-enoxy]tetrahydropyran
CID 24973546
[(Z)-2,3,3-triethoxyprop-1-enyl]sulfanylbenzene
CID 10924025
[(E)-4,4-dimethoxy-2-methylbut-2-enyl]sulfanylbenzene
CID 10966576
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116
5-(Methoxymethoxy)undec-1-en-2-ylsulfanylbenzene
CID 14172398
[(E)-4,4-dimethoxybut-2-enyl]sulfanylbenzene
CID 14890214
Butyl phenylsulfanylmethyl carbonate
CID 15254408
[6-(Ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene
CID 86034417
[(E,4S)-5-iodo-4-(methoxymethoxy)pent-2-enyl]sulfonylbenzene
CID 101242059

Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene?
The IUPAC name of [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene (CID 86034408) is [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene.
What is the SMILES notation for [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene?
The canonical SMILES for [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene is CCOCOC1CCC=C1Sc1ccccc1.
What is the InChIKey of [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene?
The InChIKey is YFVCUHQPFWTRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-2-15-11-16-13-9-6-10-14(13)17-12-7-4-3-5-8-12/h3-5,7-8,10,13H,2,6,9,11H2,1H3.
What are the key properties of [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene?
[5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene has a molecular weight of 250.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene is sourced from PubChem (CID 86034408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).