[cyclohexylidene(methoxy)methyl]sulfanylbenzene

C14H18OS — CID 13183920

IUPAC[cyclohexylidene(methoxy)methyl]sulfanylbenzene
SMILESCOC(Sc1ccccc1)=C1CCCCC1
InChIInChI=1S/C14H18OS/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyWFVYQUFAOQTUNX-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.60
Rot. Bonds3

About [cyclohexylidene(methoxy)methyl]sulfanylbenzene

[cyclohexylidene(methoxy)methyl]sulfanylbenzene (PubChem CID 13183920) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is [cyclohexylidene(methoxy)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[cyclohexylidene(methoxy)methyl]sulfanylbenzene
PubChem CID13183920
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name[cyclohexylidene(methoxy)methyl]sulfanylbenzene
SMILESCOC(Sc1ccccc1)=C1CCCCC1
InChIInChI=1S/C14H18OS/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyWFVYQUFAOQTUNX-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclohexylidene(methoxy)methyl]sulfanylbenzene?
The IUPAC name of [cyclohexylidene(methoxy)methyl]sulfanylbenzene (CID 13183920) is [cyclohexylidene(methoxy)methyl]sulfanylbenzene.
What is the SMILES notation for [cyclohexylidene(methoxy)methyl]sulfanylbenzene?
The canonical SMILES for [cyclohexylidene(methoxy)methyl]sulfanylbenzene is COC(Sc1ccccc1)=C1CCCCC1.
What is the InChIKey of [cyclohexylidene(methoxy)methyl]sulfanylbenzene?
The InChIKey is WFVYQUFAOQTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of [cyclohexylidene(methoxy)methyl]sulfanylbenzene?
[cyclohexylidene(methoxy)methyl]sulfanylbenzene has a molecular weight of 234.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylidene(methoxy)methyl]sulfanylbenzene is sourced from PubChem (CID 13183920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).